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Search term: HHLJUSLZGFYWKW-UHFFFAOYAE
Found by InChIKey (full match)
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Inherent Properties, Identifiers and References
ChemSpider ID: 91990
Empirical Formula: C6H16ClNO3
Molecular Weight: 185.6491
Nominal Mass: 185 Da
Average Mass: 185.6491 Da
Monoisotopic Mass: 185.081871 Da
Systematic Name: 2-(bis(2-hydroxyethyl)amino)ethanol hydrochloride
SMILES: Cl.OCCN(CCO)CCO
InChI: InChI=1/C6H15NO3.ClH/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H
InChIKey: HHLJUSLZGFYWKW-UHFFFAOYAE
Std. InChI: InChI=1S/C6H15NO3.ClH/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H
Std. InChIKey: HHLJUSLZGFYWKW-UHFFFAOYSA-N
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User Data

  • experimental physchem properties
    • Melting Point: 177-179
  • miscellaneous
    • Safety: CAUTION: May irritate eyes, skin, and respiratory tract
Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

2,2',2''-​Nitrilotr​iethanol ​hydrochlo​ride

2,2',2''-​Nitrilotr​iethanolh​ydrochlor​id

2-Hydroxy​-N,N-bis(​2-hydroxy​ethyl)eth​anaminium​ chloride

ethanol, ​2,2',2''-​nitrilotr​is-, hydr​ochloride​ (1:1)

2,2',2''-​Nitrilotr​isethanol​ hydrochl​oride

2,2′,2′′-​Nitrilotr​iethanol ​hydrochlo​ride

211-284-2 [EINECS/ELINCS]

24271-46-3 [RN]

637-39-8 [RN]

67924-33-8 [RN]

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Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

ACD/LogP: -1.11 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -3.39 ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1 ACD/KOC (pH 7.4): 1.57
#H bond acceptors: 4 #H bond donors: 3
#Freely Rotating Bonds: 9 Polar Surface Area: 30.93 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 185 °C Enthalpy of Vaporization: 67.02 kJ/mol
Boiling Point: 335.4 °C at 760 mmHg Vapour Pressure: 8.38E-06 mmHg at 25°C