Cetrimide

Catalog Number	ACM1119977-5
CAS	1119-97-7
Structure
Synonyms	Tetradecanaminium,N,N,N-trimethyl-,bromide
IUPAC Name	Trimethyl(tetradecyl)azanium;bromide
Molecular Weight	336.4
Molecular Formula	C17H38BrN
Canonical SMILES	CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI	InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
InChI Key	CXRFDZFCGOPDTD-UHFFFAOYSA-M
Melting Point	245-250°C
Purity	98%+
Solubility	water, 98.36 mg/L @ 25 °C (est)
Appearance	White crystalline powder
Complexity	158
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
EC Number	214-291-9
Exact Mass	335.21876
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
MDL Number	MFCD00011770
Monoisotopic Mass	335.21876
Physical State	Powder
Rotatable Bond Count	13
Stability	Stable. Hygroscopic. Incompatible with strong oxidizing agents.
Topological Polar Surface Area	0 Ų

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Cetrimide (1119-97-7)

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