CAS 2978-58-7 3-Butyn-2-amine, 2-methyl- (HCID 76319)

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Basic information

CAS: 2978-58-7
Standard SMILES: C#CC(C)(C)N
InChIKey: VUGCBIWQHSRQBZ-UHFFFAOYSA-N
Molecular formula: C5H9N
Average molar mass: 83.13 g/mol
Monoisotopic mass: 83.07349929

Names & identifiers

Preferred name: 3-Butyn-2-amine, 2-methyl-
IUPAC: 2-methylbut-3-yn-2-amine
English name: 1,1-Dimethylpropargylamine
Molecular formula: C5H9N
Molecular weight: 83.13

Names & synonyms

2978-58-73-Butyn-2-amine, 2-methyl-1,1-Dimethylpropargylamine2-Methyl-3-butyn-2-amine1,1-DimethylpropynylamineEINECS 221-029-730-D-11EC 221-029-7DTXSID1062752RefChem:93309DTXCID20380712-Propynylamine, 1,1-dimethyl-(6CI,7CI,8CI)

Show more names

3-AMINO-3-METHYLBUTYNE1,1-Dimethyl-2-propynylamineGolpanol MPACBI-BB ZERO/005787TIMTEC-BB SBB000001

VUGCBIWQHSRQBZ-UHFFFAOYSA-N2-methylbut-3-yn-2-amine3-Amino-3-methyl-1-butyne1,1-Dimethylprop-2-ynylamine1,1-Dimethyl-prop-2-ynylamine1,1-Dimethylprop-3-ynylamineMFCD000080522-methylbut-3-yn-2-ylamine

Database identifiers

CAS: 2978-58-7
PubChem CID: 76319
DTXSID: DTXSID1062752
EC Number: 221-029-7
Nikkaji: J35.162H

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 83.4

Physicochemical properties

Melting point: 18 °C · 18°C
Boiling point: 79 · 79-80 °C/760 mmHg
Density: 0.79 g/mL · 0.79 g/mL at 25 °C
vapor pressure: 68.7 hPa · 68.7hPa at 20℃
refractive index: 1.422 · 1.422-1.425
Flash point: 2 °C · 2 °C
storage temp.: 2 · 2-8°C
form: Liquid
pka: 8.67 · 8.67±0.25(Predicted)
color: Clear colorless to yellow
Water Solubility: Very soluble in water.
Sensitive: Air Sensitive
InChI: 1S/C5H9N/c1-4-5(2,3)6/h1H,6H2,2-3H3
InChIKey: VUGCBIWQHSRQBZ-UHFFFAOYSA-N
SMILES: CC(C)(N)C#C
LogP: 0.26 at · 0.26 at 23℃
CAS DataBase Reference

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (99.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 209 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.