chempirical

Butylpyridinium chloride

C9H14ClNCAS 1124-64-7171.67 g/mol

Open in Covalent MOL file
N+Cl−

Properties

Molecular formula
C9H14ClN
Molar mass
171.67 g/mol
Exact mass
171.0815 Da
Melting point
86.4 °C
logP
-1.22Crippen estimate
Polar surface area
3.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
1124-64-7
SMILES
CCCC[n+]1ccccc1.[Cl-]
InChIKey
POKOASTYJWUQJG-UHFFFAOYSA-M
InChI
InChI=1S/C9H14N.ClH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

7 names
  • Pyridinium, 1-butyl-, chloride (1:1)
  • Pyridinium, 1-butyl-, chloride
  • 1-Butylpyridinium chloride
  • N-Butylpyridinium chloride
  • N-1-Butylpyridinium chloride
  • N-(n-Butyl)pyridinium chloride
  • BPCl

Work with Butylpyridinium 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-Butylpyridinium bis(trifluoromethylsulfonyl)imide187863-42-9Salt 1-Butylpyridinium bromide874-80-6Salt 1-Butylpyridinium hexafluorophosphate186088-50-6Salt 1-Butylpyridinium tetrafluoroborate203389-28-0Salt

Similar compounds

Dodecylpyridinium chloride104-74-584 % similar Cetylpyridinium chloride123-03-584 % similar Tetradecylpyridinium chloride2785-54-884 % similar Cetylpyridinium chloride monohydrate6004-24-675 % similar Dodecylpyridinium bromide104-73-464 % similar Cetylpyridinium bromide140-72-764 % similar Octylpyridinium bromide2534-66-964 % similar 3-Methyl-N-butylpyridinium chloride125652-55-363 % similar

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

Same formula

Phenyltrimethylammonium chloride138-24-9 β-Methylbenzeneethanamine hydrochloride20388-87-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook