3-Dimethylaminopropyl chloride hydrochloride

C₅H₁₃Cl₂NCAS 1281-00-1158.07 g/mol

Open in Covalent MOL file

Alkyl halide Tertiary amine

Properties

Molecular formula: C₅H₁₃Cl₂N
Molar mass: 158.07 g/mol
Exact mass: 157.0425 Da
logP: 1.60Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation93.3% of notifiers
H319 Causes serious eye irritation94.4% of notifiers
H335 May cause respiratory irritation75.3% of notifiers
H412 Harmful to aquatic life with long lasting effects43.8% of notifiers

Aggregated from 89 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1281-00-1

SMILES

CN(C)CCCCl.Cl

InChIKey

LJQNMDZRCXJETK-UHFFFAOYSA-N

InChI

InChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H

Weigh it out

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Names and synonyms

1 names

3-(Dimethylamino)propyl chloride hydrochloride

Work with 3-Dimethylaminopropyl chloride hydrochloride

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.

3-Chloro-N,N-dimethyl-1-propanamine109-54-6Free base 3-(Dimethylamino)propyl chloride hydrochloride5407-04-5

Similar compounds

Dimethylaminoethyl chloride hydrochloride4584-46-771 % similar 2-(Dimethylamino)ethyl chloride107-99-357 % similar 1-(3-Chloropropyl)-pyrrolidine hydrochloride57616-69-057 % similar 3-(4-Methyl-1-piperazinyl)propyl chloride dihydrochloride2031-23-456 % similar N,N,N',N'-Tetramethyl-1,3-diaminopropane110-95-250 % similar N1,N1,N4,N4-Tetramethyl-1,4-butanediamine111-51-350 % similar Nitrogen mustard55-86-750 % similar Tetramethylhexamethylenediamine111-18-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-N,N-dimethyl-1-propanamine hydrochloride4584-49-0 Chlormequat chloride999-81-5

Elsewhere

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