1,1-Dimethylpropargylamine

C₅H₉NCAS 2978-58-783.13 g/mol

Open in Covalent MOL file

Alkyne Primary amine

Properties

Molecular formula: C₅H₉N
Molar mass: 83.13 g/mol
Exact mass: 83.0735 Da
Melting point: 18 °C
Boiling point: 79.5 °C
logP: 0.36Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor99.5% of notifiers
H302 Harmful if swallowed99.5% of notifiers
H314 Causes severe skin burns and eye damage99.5% of notifiers
H318 Causes serious eye damage77.5% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled20.1% of notifiers

Aggregated from 209 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, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P342+P316, P363, P370+P378, P403, P403+P235, P405, P501

Identifiers

CAS number

2978-58-7

SMILES

C#CC(C)(C)N

InChIKey

VUGCBIWQHSRQBZ-UHFFFAOYSA-N

InChI

InChI=1S/C5H9N/c1-4-5(2,3)6/h1H,6H2,2-3H3

Weigh it out

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

Names and synonyms

14 names · show all

3-Butyn-2-amine, 2-methyl-
2-Propynylamine, 1,1-dimethyl-
2-Methyl-3-butyn-2-amine
1,1-Dimethyl-2-propynylamine
3-Amino-3-methyl-1-butyne
3-Amino-3-methylbutyne
1,1-Dimethylpropynylamine
2-Methyl-2-amino-3-butyne
2-Methyl-3-butyn-2-ylamine
3-Methyl-3-amino-1-butyne
2-Amino-2-methyl-3-butyne
3-Amino-3,3-dimethyl-1-propyne
1,1-Dimethyl-2-propyn-1-amine
(1,1-Dimethyl-2-propyn-1-yl)amine

Work with 1,1-Dimethylpropargylamine

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

Similar compounds

2-Amino-2-methylpropanenitrile19355-69-243 % similar 3,3-Dimethyl-1-butyne917-92-042 % similar 3-Chloro-3-methyl-1-butyne1111-97-336 % similar 2-Methylbut-3-yn-2-ol115-19-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pentanenitrile110-59-8 Bicyclo(1.1.1)pentan-1-amine177287-49-9 Butyl isocyanide2769-64-4 Isovaleronitrile625-28-5 Pivalonitrile630-18-2 1,2,3,6-Tetrahydropyridine694-05-3 tert-Butyl isocyanide7188-38-7 N,N-Dimethylpropargylamine7223-38-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook