chempirical

Butylamine hydrochloride

C4H12ClNCAS 3858-78-4109.60 g/mol

Open in Covalent MOL file
NH2HCl
Primary amine

Properties

Molecular formula
C4H12ClN
Molar mass
109.60 g/mol
Exact mass
109.0658 Da
Melting point
192 °C
logP
1.17Crippen 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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
3858-78-4
SMILES
CCCCN.Cl
InChIKey
ICXXXLGATNSZAV-UHFFFAOYSA-N
InChI
InChI=1S/C4H11N.ClH/c1-2-3-4-5;/h2-5H2,1H3;1H

Weigh it out

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

Names and synonyms

8 names
  • 1-Butanamine, hydrochloride (1:1)
  • Butylamine, hydrochloride
  • 1-Butanamine, hydrochloride
  • n-Butylammonium chloride
  • n-Butylamine hydrochloride
  • Butylammonium chloride
  • Butylamine monohydrochloride
  • Monobutylammonium chloride

Work with Butylamine 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.

n-Butylamine109-73-9Free base (1-Butanamine)[[2,2′-(thio-κS)bis[4-(1,1,3,3-tetramethylbutyl)phenolato-κO]](2-)]nickel14516-71-3Salt

Similar compounds

Hexylammonium chloride142-81-479 % similar Octadecylammonium chloride1838-08-079 % similar Dodecylammonium chloride929-73-779 % similar 1-Aminopentane110-58-767 % similar Propylammonium chloride556-53-667 % similar Hexylamine111-26-263 % similar Heptylamine111-68-263 % similar Octylamine111-86-463 % similar

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

Same formula

Diethylammonium chloride660-68-4 Tetramethylammonium chloride75-57-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook