2-bromobicyclo[2.2.1]heptan-1-amine hydrochloride

• ChemBase ID: 245997
• Molecular Formular: C7H13BrClN
• Molecular Mass: 226.54182
• Monoisotopic Mass: 224.9919891
• SMILES: C12(C(CC(C1)CC2)Br)N.Cl
• Canonical SMILES: BrC1CC2CC1(N)CC2.Cl
• InChI: InChI=1S/C7H12BrN.ClH/c8-6-3-5-1-2-7(6,9)4-5;/h5-6H,1-4,9H2;1H
• InChIKey: JMSLQBXHTJFEDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromobicyclo[2.2.1]heptan-1-amine hydrochloride
• IUPAC Traditional name: 2-bromobicyclo[2.2.1]heptan-1-amine hydrochloride
• Synonyms: 2-bromobicyclo[2.2.1]heptan-1-amine hydrochloride

Database IDs

• PubChem SID: 164301907
• PubChem CID: 71757851

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5741673
• LogD (pH = 7.4): -0.4160298
• Log P: 1.3762501
• Molar Refractivity: 41.0356 cm^3
• Polarizability: 16.402113 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 1.445

Product Information

• Purity: 95%