Palmitamidopropyltrimonium chloride

C₂₂H₄₇ClN₂OCAS 51277-96-4391.08 g/mol

Open in Covalent MOL file

Imine Quaternary ammonium

Properties

Molecular formula: C₂₂H₄₇ClN₂O
Molar mass: 391.08 g/mol
Exact mass: 390.3377 Da
logP: 5.74Crippen estimate
Polar surface area: 35.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 18

Hazards

Danger

H302 Harmful if swallowed23.5% of notifiers
H314 Causes severe skin burns and eye damage17.6% of notifiers
H318 Causes serious eye damage82.4% of notifiers
H400 Very toxic to aquatic life23.5% of notifiers

Aggregated from 17 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, P501

Identifiers

CAS number

51277-96-4

SMILES

CCCCCCCCCCCCCCCC([O-])=NCCC[N+](C)(C)C.Cl

InChIKey

IREAODMQYCOAGP-UHFFFAOYSA-N

InChI

InChI=1S/C22H46N2O.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(25)23-20-18-21-24(2,3)4;/h5-21H2,1-4H3;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

1-Propanaminium, N,N,N-trimethyl-3-[(1-oxohexadecyl)amino]-, chloride (1:1)
1-Propanaminium, N,N,N-trimethyl-3-[(1-oxohexadecyl)amino]-, chloride
Trimethyl(3-palmitamidopropyl)ammonium chloride
(Hexadecylamidopropyl)trimethylammonium chloride
Varisoft PATC

Work with Palmitamidopropyltrimonium chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

[3-(Methacryloylamino)propyl]trimethylammonium chloride51410-72-150 % similar Cetrimonium hydroxide505-86-246 % similar Caprylyltrimethylammonium chloride10108-86-842 % similar Decyltrimethylammonium chloride10108-87-942 % similar Dodecyltrimethylammonium bromide1119-94-442 % similar Tetradecyltrimethylammonium bromide1119-97-742 % similar Dodecyltrimethylammonium chloride112-00-542 % similar Cetrimonium chloride112-02-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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