chempirical

3-Dimethylaminopropyl chloride hydrochloride

C5H13Cl2NCAS 1281-00-1158.07 g/mol

Open in Covalent MOL file
NClHCl
Alkyl halideTertiary 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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

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

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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

Similar compounds

3-Chloro-N,N-dimethyl-1-propanamine109-54-684 % similar Dimethylaminoethyl chloride hydrochloride4584-46-771 % similar 2-(Dimethylamino)ethyl chloride107-99-357 % similar 3-(4-Methyl-1-piperazinyl)propyl chloride dihydrochloride2031-23-456 % similar Tetramethyl-1,3-propanediamine110-95-250 % similar N1,N1,N4,N4-Tetramethyl-1,4-butanediamine111-51-350 % similar Nitrogen mustard55-86-750 % similar N,N,N′,N′-Tetramethyl-1,6-hexanediamine111-18-248 % 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 3-(Dimethylamino)propyl chloride hydrochloride5407-04-5 Chlormequat chloride999-81-5

Elsewhere

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