Propargylamine

C₃H₅NCAS 2450-71-755.08 g/mol

Open in Covalent MOL file

Alkyne Primary amine

Properties

Molecular formula: C₃H₅N
Molar mass: 55.08 g/mol
Exact mass: 55.0422 Da
Density: 0.867 g/mL (at 16 °C)
Boiling point: 83 °C
logP: -0.42Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed100% of notifiers
H310 Fatal in contact with skin98.2% of notifiers
H314 Causes severe skin burns and eye damage92.9% of notifiers
H318 Causes serious eye damage64.3% of notifiers

Aggregated from 168 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

2450-71-7

SMILES

C#CCN

InChIKey

JKANAVGODYYCQF-UHFFFAOYSA-N

InChI

InChI=1S/C3H5N/c1-2-3-4/h1H,3-4H2

Weigh it out

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

Names and synonyms

6 names

2-Propyn-1-amine
2-Propynylamine
3-Aminopropyne
3-Aminoprop-1-yne
NSC 80642
N-(2-Propyn-1-yl)amine

Work with Propargylamine

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.

Prop-2-ynylamine hydrochloride15430-52-1Salt

Similar compounds

1,5-Hexadiyne628-16-040 % similar 1,6-Heptadiyne2396-63-635 % similar 1,7-Octadiyne871-84-135 % similar Propargyl bromide106-96-733 % similar 1-Butyne107-00-633 % similar Propargyl alcohol107-19-733 % similar 1,9-Decadiyne1720-38-333 % similar 1,8-Nonadiyne2396-65-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Propionitrile107-12-0 Isocyanoethane624-79-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia