3-Buten-1-amine

HCID 443732

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Basic information

CAS: 2524-49-4
Standard SMILES: C=CCCN
InChIKey: ASVKKRLMJCWVQF-UHFFFAOYSA-N
Molecular formula: C4H9N
Average molar mass: 71.12 g/mol
Monoisotopic mass: 71.07349929

Overview

3-buten-1-amine is an alkylamine.

Names & identifiers

Preferred name: 3-Buten-1-amine
IUPAC: but-3-en-1-amine
English name: 3-Buten-1-amine
Molecular formula: C4H9N
Molecular weight: 71.12

Names & synonyms

3-Buten-1-amine2524-49-4DTXSID50332126RefChem:93275DTXCID50283220But-3-en-1-amine3-Buten-1-amine (9CI)homoallylamine3-BUTENYLAMINE4-AMINO-1-BUTENEMFCD03425859C12244

Show more names

AKOS 1124-AMINOBUT-1-ENEBut-3-en-1-ylamineRARECHEM AN KA 1188

3-butene-1-amineACMC-1B0ZEAC1L9F3En-but-3-enylamineBut-3-ene-1-amineBUT-3-ENYLAMINESCHEMBL132036SCHEMBL132037

Database identifiers

CAS: 2524-49-4
PubChem CID: 443732
DTXSID: DTXSID50332126
ChEBI: CHEBI:31108
EC Number: 680-738-3
Nikkaji: J674.246G

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 5
Formal charge: 0
Complexity: 24.8

Experimental & physicochemical properties

SpringerMaterials PropertiesCoriolis coupling

Physicochemical properties

Boiling point: 74 · 74-77°C
Density: 0 · 0,777 g/cm3
refractive index: 1.424 · 1.4240
Flash point: 74 · 74-77°C
form: solid
pka: 9.96 · 9.96±0.10(Predicted)
Water Solubility: Miscible with water.
Sensitive: Air Sensitive
BRN: 1735803 · 1735803
InChI: InChI=1S/C4H9N/c1-2-3-4-5/h2H,1,3-5H2
InChIKey: ASVKKRLMJCWVQF-UHFFFAOYSA-N
SMILES: C(N)CC=C
UNSPSC Code: 12352116 · 12352116
NACRES: 21 · NA.21
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 225 · H225-H314-H318
Precautionary statements: 210 · P210-P260h-P303+P361+P353-P305+P351+P338-P405-P501a
Risk Statements: 11 · 11-34
Safety Statements: 16 · 16-26-36/37/39-45
RIDADR: 2733 · 2733
WGK Germany: 3 · WGK 3
HazardClass: 3 · 3
PackingGroup: II
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 1 Flam · Eye Dam. 1Flam. Liq. 2Skin Corr. 1B

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, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

wgk: WGK 3
ridadr: 2733
risk_code: 11-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
safety_code: 16-26-36/37/39-45
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225-H314-H318
Hazard Classifications: Eye Dam. 1Flam. Liq. 2Skin Corr. 1B
Precautionary statements: P210-P260h-P303+P361+P353-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 1 item

Uses3-Buten-1-amine is an aliphatic terminal amine used for organic synthesis and in proteomics research. Its hydrochloride salt is used to improve the detection of neurodegenerative alzheimers disease in ELISA titrations by reducing the background due to non-specific associations of molecules and proteins.