(1,5-Dimethylhexyl)ammonium chloride

C₈H₂₀ClNCAS 5984-59-8165.71 g/mol

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Properties

Molecular formula: C₈H₂₀ClN
Molar mass: 165.71 g/mol
Exact mass: 165.1284 Da
Melting point: 139–140 °C
logP: 2.58Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5984-59-8

SMILES

CC(C)CCCC(C)N.Cl

InChIKey

JWQWFYMPBWLERY-UHFFFAOYSA-N

InChI

InChI=1S/C8H19N.ClH/c1-7(2)5-4-6-8(3)9;/h7-8H,4-6,9H2,1-3H3;1H

Weigh it out

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

Names and synonyms

6 names

2-Heptanamine, 6-methyl-, hydrochloride (1:1)
Hexylamine, 1,5-dimethyl-, hydrochloride
2-Heptanamine, 6-methyl-, hydrochloride
2-Isooctylamine hydrochloride
2-Amino-6-methylheptane hydrochloride
NSC 27116

Work with (1,5-Dimethylhexyl)ammonium 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.

(±)-1,5-Dimethylhexylamine543-82-8Free base

Similar compounds

1,4-Dimethylpentylamine28292-43-561 % similar 1,3-Dimethylbutylamine hydrochloride71776-70-056 % similar Heptaminol hydrochloride543-15-752 % similar (R)-2-Aminohexane70095-40-850 % similar (S)-2-Aminohexane70492-67-050 % similar 2-Aminoheptane123-82-048 % similar (±)-2-Octanamine693-16-346 % similar (S)-(-)-1,2-Propanediamine dihydrochloride19777-66-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Tetraethylammonium chloride56-34-8

Elsewhere

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