1,3-Dimethylbutylamine hydrochloride

C6H16ClNCAS 71776-70-0137.65 g/mol

Open in Covalent MOL file
NH2HCl
Primary amine

Properties

Molecular formula
C6H16ClN
Molar mass
137.65 g/mol
Exact mass
137.0971 Da
logP
1.80Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
71776-70-0
SMILES
CC(C)CC(C)N.Cl
InChIKey
HJOGOCSHKIAAIB-UHFFFAOYSA-N
InChI
InChI=1S/C6H15N.ClH/c1-5(2)4-6(3)7;/h5-6H,4,7H2,1-3H3;1H

Weigh it out

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

Names and synonyms

1 names
  • 4-Methyl-2-pentanamine hydrochloride

Work with 1,3-Dimethylbutylamine 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-Dimethylbutylamine108-09-8Free base

Similar compounds

(1,5-Dimethylhexyl)ammonium chloride5984-59-856 % similar 4-Methyl-2-hexanamine hydrochloride13803-74-254 % similar (S)-(-)-1,2-Propanediamine dihydrochloride19777-66-352 % similar (+)-1,2-Propanediamine dihydrochloride19777-67-452 % similar (R)-1-Fluoro-2-propylamine hydrochloride273734-17-150 % similar (S)-1-Fluoro-2-propylamine hydrochloride458560-63-950 % similar 1,4-Dimethylpentylamine28292-43-548 % similar (±)-1,5-Dimethylhexylamine543-82-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Hexylammonium chloride142-81-4 Triethylamine monohydrochloride554-68-7 Diisopropylammonium chloride819-79-4

Elsewhere

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