CETAC

ChemSpider ID: 7862
Molecular Formula: C₁₉H₄₂ClN
Average mass: 319.99649 Da
Monoisotopic mass: 319.300568 Da
Systematic name

N,N,N-Trimethyl-1-hexadecanaminium chloride
SMILES and InChIs

SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-] Copied

Std. InChI:

InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1 Copied

Std. InChIKey:

WOWHHFRSBJGXCM-UHFFFAOYSA-M Copied
Cite this record
CSID:7862, http://www.chemspider.com/Chemical-Structure.7862.html (accessed 08:28, May 25, 2013) Copied

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

1-hexadecanaminium, N,N,N-trimethyl-, chloride (1:1)

268-077-5 [EINECS]

68002-63-1 [RN]

CETAC [Wiki]

cetyltrimethylammonium chloride

Chlorure de N,N,N-triméthyl-1-hexadécanaminium

CTAC

CTMA

hexadecyl-trimethylammonium chloride

Hexadecyltrimethylammonium Chloride

More...

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

BP 40 [DBID]

Cetac 30 [DBID]

292737_ALDRICH [DBID]

52366_FLUKA [DBID]

52372_FLUKA [DBID]

Caswell No. 167A [DBID]

EPA Pesticide Chemical Code 069133 [DBID]

FSM 28 [DBID]

HSDB 5553 [DBID]

PB 40 [DBID]

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Properties

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Data supplied by datasources and users.

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  234 deg C (234 °C) Alfa Aesar

Miscellaneous

Appearance:

colourless liquid (as an aqueous solution) Oxford University Chemical Safety Data
Stability:

Stable. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data
Toxicity:

SKN-RBT LD50 4300 mg/kg/24h Oxford University Chemical Safety Data

Safety:

DANGER: CORROSIVE, burns skin and eyes Alfa Aesar

Safety glasses. Oxford University Chemical Safety Data

WARNING: Irritates lungs, eyes, skin Alfa Aesar

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:		# of Rule of 5 Violations:
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:		#H bond donors:
#Freely Rotating Bonds:		Polar Surface Area:	Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	kJ/mol
Boiling Point:	°C at 760 mmHg	Vapour Pressure:	mmHg at 25°C

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Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

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