ChemSpider 2D Image | Cyanamide | CH2N2


  • Molecular FormulaCH2N2
  • Average mass42.040 Da
  • Monoisotopic mass42.021797 Da
  • ChemSpider ID9480

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

206-992-3 [EINECS]
420-04-2 [RN]
Cyanamid [German] [ACD/IUPAC Name]
Cyanamide [ACD/Index Name] [ACD/IUPAC Name] [JAN] [JP15] [Trade name] [Wiki]
Cyanamide [French] [ACD/Index Name] [ACD/IUPAC Name]
hydrogen cyanamide
MFCD00007572 [MDL number]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

28330_FLUKA [DBID]
420-04-2,65931-45-5 [DBID]
BRN 1732569 [DBID]
C01566 [DBID]
c0597 [DBID]
Caswell No. 485A [DBID]
CHEBI:16698 [DBID]
D00123 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Crystalline solid. NIOSH GS5950000
      white crystalline solid OU Chemical Safety Data (No longer updated) More details
    • Stability:

      Unstable - heat sensitive. Incompatible with strong oxidizing agents, strong reducing agents,bases, acids, iron and its salts, steel, brass, lead, moisture. Reacts with acids toproduce very toxic gas. OU Chemical Safety Data (No longer updated) More details
    • Toxicity:

      Organic Compound; Amine; Nitrile; Fertilizer; Industrial/Workplace Toxin; Synthetic Compound Toxin, Toxin-Target Database T3D3816
      ORL-RAT LD50 125 mg kg-1, SKN-RAT LD50 874 mg kg-1, ORL-MUS LD50 388 mg kg-1, IPR-MUS LD50 200 mg kg-1, ORL-RBT LD50 150 mg kg-1, SKN-RBT LD50 590 mg kg-1 OU Chemical Safety Data (No longer updated) More details
    • Safety:

      21-25-36/38-43 Alfa Aesar L03744
      3-22-36/37-45 Alfa Aesar L03744
      8 Alfa Aesar L03744
      Danger Alfa Aesar L03744
      DANGER: CORROSIVE, POISON, burns skin and eyes Alfa Aesar L03744
      DANGER: POISON, irritates skin, eyes, lungs Alfa Aesar L03744
      H301-H312-H315-H319-H317 Alfa Aesar L03744
      P261-P280h-P235-P305+P351+P338-P309-P310 Alfa Aesar L03744
      Safety glasses, gloves, adequate ventilation. OU Chemical Safety Data (No longer updated) More details
    • First-Aid:

      Eye: Irrigate immediately Skin: Water flush immediately Breathing: Respiratory support Swallow: Medical attention immediately NIOSH GS5950000
    • Exposure Routes:

      inhalation, skin absorption, ingestion, skin and/or eye contact NIOSH GS5950000
    • Symptoms:

      Irritation eyes, skin, respiratory system; eye, skin burns; miosis, salivation, lacrimation (discharge of tears), twitching; Antabuse-like effects NIOSH GS5950000
    • Target Organs:

      Eyes, skin, respiratory system, central nervous system NIOSH GS5950000
    • Incompatibility:

      Above 104F: Moisture, acids, or alkalis; 1,2-phenylene diamine salts [Note: Polymerization may occur on evaporation of aqueous solutions.] NIOSH GS5950000
    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet or contaminated Change: Daily Provide: Eyewash, Quick drench NIOSH GS5950000
    • Exposure Limits:

      NIOSH REL : TWA 2 mg/m 3 OSHA PEL ?: none NIOSH GS5950000
    • Chemical Class:

      A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an amino group. ChEBI, CHEBI:16698

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 258.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.6±3.0 kJ/mol
Flash Point: 1.2±22.6 °C
Index of Refraction: 1.397
Molar Refractivity: 10.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.43
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.43
Polar Surface Area: 50 Å2
Polarizability: 4.0±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 42.1±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -0.81
    Log Kow (Exper. database match) =  -0.82
       Exper. Ref:  Tomlin,C (1994)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  112.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -36.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  14  (Modified Grain method)
    MP  (exp database):  44 deg C
    BP  (exp database):  83 @ 0.5 mm Hg deg C
    VP  (exp database):  3.75E-03 mm Hg at 20 deg C
    Subcooled liquid VP: 0.00578 mm Hg (20 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.515e+005
       log Kow used: -0.82 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  5e+005 mg/L (25 deg C)
        Exper. Ref:  SHIU,WY ET AL. (1990)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  500000.00
       Exper. Ref:  SHIU,WY ET AL. (1990)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.32E-005  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 2.59E-10  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.189E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.82  (exp database)
  Log Kaw used:  -7.975  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  7.155
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7275
   Biowin2 (Non-Linear Model)     :   0.9177
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1063  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7871  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5871
   Biowin6 (MITI Non-Linear Model):   0.7878
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.771 Pa (0.00578 mm Hg)
  Log Koa (Koawin est  ): 7.155
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.89E-006 
       Octanol/air (Koa) model:  3.51E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000141 
       Mackay model           :  0.000311 
       Octanol/air (Koa) model:  0.000281 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000226 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4.5
      Log Koc:  0.653 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -0.82 (expkow database)

 Volatilization from Water:
    Henry LC:  2.59E-010 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 1.466E+006  hours   (6.107E+004 days)
    Half-Life from Model Lake : 1.599E+007  hours   (6.662E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0061          1e+005       1000       
   Water     38.9            360          1000       
   Soil      61              720          1000       
   Sediment  0.0713          3.24e+003    0          
     Persistence Time: 579 hr


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