2-bromocyclohexan-1-amine hydrobromide

• ChemBase ID: 234947
• Molecular Formular: C6H13Br2N
• Molecular Mass: 258.98212
• Monoisotopic Mass: 256.94147342
• SMILES: C1(C(Br)CCCC1)N.Br
• Canonical SMILES: NC1CCCCC1Br.Br
• InChI: InChI=1S/C6H12BrN.BrH/c7-5-3-1-2-4-6(5)8;/h5-6H,1-4,8H2;1H
• InChIKey: OHRFSRLWUIONFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromocyclohexan-1-amine hydrobromide
• IUPAC Traditional name: 2-bromocyclohexan-1-amine hydrobromide
• Synonyms: 2-bromocyclohexan-1-amine hydrobromide

Database IDs

• MDL Number: MFCD22056344
• PubChem SID: 164290857
• PubChem CID: 71755398

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2514062
• LogD (pH = 7.4): 0.097972386
• Log P: 1.6389952
• Molar Refractivity: 38.329 cm^3
• Polarizability: 15.2877445 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 1.69

Product Information

• Purity: 95%