2-bromocyclopentan-1-amine hydrobromide

• ChemBase ID: 236719
• Molecular Formular: C5H11Br2N
• Molecular Mass: 244.95554
• Monoisotopic Mass: 242.92582336
• SMILES: C1(C(Br)CCC1)N.Br
• Canonical SMILES: BrC1CCCC1N.Br
• InChI: InChI=1S/C5H10BrN.BrH/c6-4-2-1-3-5(4)7;/h4-5H,1-3,7H2;1H
• InChIKey: XROFQBFAFKJQIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22369844
• PubChem SID: 164292629
• PubChem CID: 71755767

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6959693
• LogD (pH = 7.4): -0.3465778
• Log P: 1.1944265
• Molar Refractivity: 33.728 cm^3
• Polarizability: 13.481729 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): 1.131

Product Information

• Purity: 95%