but-3-en-2-amine hydrochloride

• ChemBase ID: 240644
• Molecular Formular: C4H10ClN
• Molecular Mass: 107.5819
• Monoisotopic Mass: 107.05017701
• SMILES: C(=C)C(N)C.Cl
• Canonical SMILES: CC(C=C)N.Cl
• InChI: InChI=1S/C4H9N.ClH/c1-3-4(2)5;/h3-4H,1,5H2,2H3;1H
• InChIKey: HRJVNHUMBUVTND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: but-3-en-2-amine hydrochloride
• IUPAC Traditional name: but-3-en-2-amine hydrochloride
• Synonyms: but-3-en-2-amine hydrochloride

Database IDs

• MDL Number: MFCD22392186
• PubChem SID: 164296554
• PubChem CID: 18185425

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4917347
• LogD (pH = 7.4): -1.8533257
• Log P: 0.522366
• Molar Refractivity: 23.5003 cm^3
• Polarizability: 9.418702 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.419

Product Information

• Purity: 95%