3-Ethylpent-1-yn-3-amine

HCID 76710

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Basic information

CAS: 3234-64-8
Standard SMILES: C#CC(N)(CC)CC
InChIKey: WHNOKDNCUNZBLW-UHFFFAOYSA-N
Molecular formula: C7H13N
Average molar mass: 111.18 g/mol
Monoisotopic mass: 111.10479942

Names & identifiers

Preferred name: 3-Ethylpent-1-yn-3-amine
IUPAC: 3-ethylpent-1-yn-3-amine
English name: 1,1-Diethylpropargylamine
Molecular formula: C7H13N
Molecular weight: 111.18

Names & synonyms

3234-64-83-Ethylpent-1-yn-3-amineEINECS 221-784-2DTXSID10186066RefChem:501460DTXCID20108557221-784-21,1-Diethylpropargylamine1,1-Diethyl-prop-2-ynylamine1-Pentyn-3-amine, 3-ethyl-MFCD000080573-amino-3-ethyl-1-pentyne

Show more names

3-Ethyl-1-pentyn-3-amine1,1-Diethylpropargylamino1,1-Diethylpropargylamine,97%

2,2-diethylpropargylamine1,1-Diethylproparagyl amine1,1-Diethyl-2-propynylamineSCHEMBL479178SCHEMBL154752131,1-Diethyl-2-propynylamine #AKOS000120681SB36587

Database identifiers

CAS: 3234-64-8
PubChem CID: 76710
DTXSID: DTXSID10186066
EC Number: 221-784-2
Nikkaji: J262.340D

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 103

Physicochemical properties

Boiling point: 71 · 71-72 °C90 mm Hg(lit.)
Density: 0.828 g/mL · 0.828 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4409(lit.)
Flash point: 70 °F · 70 °F
pka: 8.79 · 8.79±0.25(Predicted)
Symbol(GHS): 2 · GHS02,GHS05,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H302+H312+H332-H314
Precautionary statements: 210 · P210-P301+P312-P264
Hazard Codes: F,C
Risk Statements: 11 · 11-34
Safety Statements: 16 · 16-26-36/37/39-45
RIDADR: 2733 · UN 2733 3/PG 2
WGK Germany: 3 · 3
HazardClass: 3.1 · 3.1
PackingGroup: II
HS Code: 2921199990 · 2921199990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.