But-3-en-1-amine hydrochloride

C₄H₁₀ClNCAS 17875-18-2107.58 g/mol

Open in Covalent MOL file

Alkene Primary amine

Properties

Molecular formula: C₄H₁₀ClN
Molar mass: 107.58 g/mol
Exact mass: 107.0502 Da
logP: 0.94Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

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

17875-18-2

SMILES

C=CCCN.Cl

InChIKey

MKEXLMVYRUNCQJ-UHFFFAOYSA-N

InChI

InChI=1S/C4H9N.ClH/c1-2-3-4-5;/h2H,1,3-5H2;1H

Weigh it out

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

Names and synonyms

1 names

1-Amino-3-butene hydrochloride

Work with But-3-en-1-amine 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.

3-Buten-1-amine2524-49-4Free base

Similar compounds

2-Propenylamine hydrochloride10017-11-552 % similar Poly(allylamine hydrochloride)71550-12-452 % similar Ethylenediamine hydrochloride18299-54-244 % similar Ethylenediamine hydrochloride333-18-644 % similar 1,5-Hexadiene592-42-744 % similar 1,3-Diaminopropane dihydrochloride10517-44-940 % similar 1,6-Heptadiene3070-53-940 % similar Putrescine dihydrochloride333-93-740 % similar

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

Same formula

2-(Dimethylamino)ethyl chloride107-99-3 Cyclobutylammonium chloride6291-01-6 1-Methylcyclopropylamine hydrochloride88887-87-0

Elsewhere

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