4-bromobutan-1-amine hydrobromide

• ChemBase ID: 288912
• Molecular Formular: C4H11Br2N
• Molecular Mass: 232.94484
• Monoisotopic Mass: 230.92582336
• SMILES: NCCCCBr.Br
• Canonical SMILES: NCCCCBr.Br
• InChI: InChI=1S/C4H10BrN.BrH/c5-3-1-2-4-6;/h1-4,6H2;1H
• InChIKey: PZKCNXZSEAHUGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromobutan-1-amine hydrobromide
• IUPAC Traditional name: 4-bromobutan-1-amine hydrobromide
• Synonyms: 4-Bromobutan-1-amine hydrobromide

Database IDs

• CAS Number: 24566-81-2
• MDL Number: MFCD07780174
• PubChem SID: 180674443
• PubChem CID: 24189510

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2221215
• LogD (pH = 7.4): -1.8018169
• Log P: 0.80184865
• Molar Refractivity: 31.7556 cm^3
• Polarizability: 12.3673315 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%