Allylamine

C₃H₇NCAS 107-11-957.10 g/mol

Open in Covalent MOL file

Alkene Primary amine

Properties

Molecular formula: C₃H₇N
Molar mass: 57.10 g/mol
Exact mass: 57.0578 Da
Density: 0.76 g/mL (at 20 °C)
Melting point: −88 °C
Boiling point: 55–58 °C
pKa: 9.7
Water solubility: miscible (20 °C)
logP: 0.13Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H331 Toxic if inhaledAcute toxicity, inhalation
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-046-00-4), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P321, P330, P361+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

107-11-9

SMILES

C=CCN

InChIKey

VVJKKWFAADXIJK-UHFFFAOYSA-N

InChI

InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2

Weigh it out

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

Names and synonyms

9 names

2-Propen-1-amine
3-Aminopropylene
Monoallylamine
3-Aminopropene
3-Amino-1-propene
2-Propenamine
1-Aminoprop-2-ene
2-Propenylamine
NSC 7600

Reactions

Allylamineproduct

Work with Allylamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

Poly(allylamine hydrochloride)71550-12-4Salt 2-Propenylamine hydrochloride10017-11-5Salt

Similar compounds

3-Buten-1-amine2524-49-444 % similar Sevelamer hydrochloride152751-57-043 % similar 1,4-Pentadiene591-93-540 % similar 1,5-Hexadiene592-42-740 % similar But-3-en-1-amine hydrochloride17875-18-238 % similar O-Allylhydroxylamine hydrochloride38945-21-036 % similar Sevelamer carbonate845273-93-036 % similar 1,6-Heptadiene3070-53-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Azetidine503-29-7 Propyleneimine75-55-8 Cyclopropylamine765-30-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia