CAS 15252-44-5 Pent-4-yn-1-amine (HCID 641001)

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Basic information

CAS: 15252-44-5
Standard SMILES: C#CCCCN
InChIKey: LMDDPGHBJXJGAC-UHFFFAOYSA-N
Molecular formula: C5H9N
Average molar mass: 83.13 g/mol
Monoisotopic mass: 83.07349929

Names & identifiers

Preferred name: Pent-4-yn-1-amine
IUPAC: pent-4-yn-1-amine
English name: 4-Pentyn-1-aMine
Molecular formula: C5H9N
Molecular weight: 83.13

Names & synonyms

pent-4-yn-1-amineRefChem:859657686-031-64-pentyn-1-amine15252-44-5MFCD099236114-Pentynylamine1-amino-4-pentyne5-Amino-1-pentynepent-4-ynylaminepent-4-ynyl-amineSCHEMBL128555

Show more names

4-Pentyn-1-amine >=94.0% (NT)4-pentylyne-1-aminepent-4-yn-1-amine HCl

SCHEMBL1285564-Pentyn-1-amine 92.0%orb3175783SCHEMBL4749746DTXSID50348843LMDDPGHBJXJGAC-UHFFFAOYSA-N4-Pentyn-1-amine, >=92.0%AKOS011839405

Database identifiers

CAS: 15252-44-5
PubChem CID: 641001
DTXSID: DTXSID50348843
EC Number: 686-031-6
Nikkaji: J1.226.272H

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 57.6

Physicochemical properties

Boiling point: 118 · 118.0±23.0 °C(Predicted)
Density: 0.859 g/mLat · 0.859g/mLat 20℃
Flash point: 10 · 10 - 15°C
storage temp.: 2 · 2-8°C
pka: 9.76 · 9.76±0.10(Predicted)
form: liquid
Appearance: Colorless to light yellow Liquid
BRN: 2232239 · 2232239
InChI: InChI=1S/C5H9N/c1-2-3-4-5-6/h1H,3-6H2
InChIKey: LMDDPGHBJXJGAC-UHFFFAOYSA-N
SMILES: C(N)CCC#C
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 225 · H225-H314
Precautionary statements: 210 · P210-P280-P305+P351+P338-P310

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 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.