but-3-en-1-amine

• ChemBase ID: 302655
• Molecular Formular: C4H9N
• Molecular Mass: 71.12096
• Monoisotopic Mass: 71.07349929
• SMILES: C=CCCN
• Canonical SMILES: NCCC=C
• InChI: InChI=1S/C4H9N/c1-2-3-4-5/h2H,1,3-5H2
• InChIKey: ASVKKRLMJCWVQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: but-3-en-1-amine
• IUPAC Traditional name: 3-buten-1-amine
• Synonyms: 4-Amino-1-butene; 3-Butenylamine; 3-Buten-1-amine; 3-BUTEN-1-AMINE; 3-丁烯-1-胺

Database IDs

• CAS Number: 2524-49-4
• EC Number: 000-000-0
• MDL Number: MFCD03425859
• Beilstein Number: 1735803

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6288552
• LogD (pH = 7.4): -2.1897101
• Log P: 0.39445215
• Molar Refractivity: 23.8365 cm^3
• Polarizability: 9.418702 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 74-77°C
• Flash Point: -5°C(23°F)
• Density: 0.777
• Refractive Index: 1.4240

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2733
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-34
• Safety Statements: 16-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H225-H314-H318
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%; 98%