4-Methyl-2-hexanamine hydrochloride

C7H18ClNCAS 13803-74-2151.68 g/mol

Open in Covalent MOL file
NH2HCl
Primary amine

Properties

Molecular formula
C7H18ClN
Molar mass
151.68 g/mol
Exact mass
151.1128 Da
logP
2.19Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, 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
13803-74-2
SMILES
CCC(C)CC(C)N.Cl
InChIKey
ZKKBPHUAHARETG-UHFFFAOYSA-N
InChI
InChI=1S/C7H17N.ClH/c1-4-6(2)5-7(3)8;/h6-7H,4-5,8H2,1-3H3;1H

Weigh it out

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

Work with 4-Methyl-2-hexanamine 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.

1,3-Dimethylamylamine105-41-9Free base

Similar compounds

1,3-Dimethylbutylamine hydrochloride71776-70-054 % similar 3,5-Dimethylheptane926-82-952 % similar (-)-sec-Butylamine13250-12-950 % similar sec-Butylamine13952-84-650 % similar (±)-sec-Butylamine33966-50-650 % similar (S)-sec-Butylamine513-49-550 % similar (±)-2,4-Dimethylhexane589-43-546 % similar (S)-(-)-1,2-Propanediamine dihydrochloride19777-66-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Triethylmethylammonium chloride10052-47-8

Elsewhere

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