3-Buten-1-amine

C4H9NCAS 2524-49-471.12 g/mol

Open in Covalent MOL file
NH2
AlkenePrimary amine

Properties

Molecular formula
C4H9N
Molar mass
71.12 g/mol
Exact mass
71.0735 Da
logP
0.52Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
2524-49-4
SMILES
C=CCCN
InChIKey
ASVKKRLMJCWVQF-UHFFFAOYSA-N
InChI
InChI=1S/C4H9N/c1-2-3-4-5/h2H,1,3-5H2

Weigh it out

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

Work with 3-Buten-1-amine

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.

But-3-en-1-amine hydrochloride17875-18-2Salt

Similar compounds

1,5-Hexadiene592-42-753 % similar 1,6-Heptadiene3070-53-947 % similar 1,7-Octadiene3710-30-347 % similar Allylamine107-11-944 % similar 1,9-Decadiene1647-16-144 % similar 1,13-Tetradecadiene21964-49-844 % similar 1,8-Nonadiene4900-30-544 % similar Pentene109-67-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyrrolidine123-75-1 Cyclobutylamine2516-34-9 Cyclopropanemethanamine2516-47-4 Methylallylamine627-37-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook