Diallylammonium chloride

C₆H₁₂ClNCAS 6147-66-6133.62 g/mol

Open in Covalent MOL file

Alkene Secondary amine

Properties

Molecular formula: C₆H₁₂ClN
Molar mass: 133.62 g/mol
Exact mass: 133.0658 Da
Melting point: 164–165 °C
logP: 1.37Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed89.8% of notifiers
H311 Toxic in contact with skin22% of notifiers
H314 Causes severe skin burns and eye damage22% of notifiers
H318 Causes serious eye damage89.8% of notifiers
H319 Causes serious eye irritation10.2% of notifiers
H332 Harmful if inhaled22% of notifiers
H411 Toxic to aquatic life with long lasting effects32.2% of notifiers

Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P361+P364, P363, P391, P405, P501

Identifiers

CAS number

6147-66-6

SMILES

C=CCNCC=C.Cl

InChIKey

PZNOBXVHZYGUEX-UHFFFAOYSA-N

InChI

InChI=1S/C6H11N.ClH/c1-3-5-7-6-4-2;/h3-4,7H,1-2,5-6H2;1H

Weigh it out

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

Names and synonyms

4 names

2-Propen-1-amine, N-2-propen-1-yl-, hydrochloride (1:1)
Diallylamine, hydrochloride
2-Propen-1-amine, N-2-propenyl-, hydrochloride
Diallylamine hydrochloride

Work with Diallylammonium 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Diallylamine124-02-7Free base

Similar compounds

2,5-Dihydro-1H-pyrrole hydrochloride63468-63-350 % similar 2-Propenylamine hydrochloride10017-11-543 % similar Methylallylamine627-37-243 % similar Poly(allylamine hydrochloride)71550-12-443 % similar But-3-en-1-amine hydrochloride17875-18-239 % similar Allylaminotrimethylsilane10519-97-838 % similar O-Allylhydroxylamine hydrochloride38945-21-038 % similar Allylurea557-11-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methylenepiperidine hydrochloride144230-50-2 1-Chloro-N,N-2-trimethylpropenylamine26189-59-3 7-Azabicyclo[2,2,1]heptane hydrochloride27514-07-4 1-(2-Chloroethyl)pyrrolidine5050-41-9 4-Chloro-1-methylpiperidine5570-77-4

Elsewhere

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