4-aminobicyclo[2.2.1]heptane-1-carboxylic acid hydrochloride

• ChemBase ID: 234943
• Molecular Formular: C8H14ClNO2
• Molecular Mass: 191.65526
• Monoisotopic Mass: 191.07130637
• SMILES: [C@]12(C(=O)O)C[C@@](CC2)(CC1)N.Cl
• Canonical SMILES: OC(=O)[C@]12CC[C@@](C2)(CC1)N.Cl
• InChI: InChI=1S/C8H13NO2.ClH/c9-8-3-1-7(5-8,2-4-8)6(10)11;/h1-5,9H2,(H,10,11);1H/t7-,8+
• InChIKey: LQJXNKWRMYPICI-KVZVIFLMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminobicyclo[2.2.1]heptane-1-carboxylic acid hydrochloride
• IUPAC Traditional name: 4-aminobicyclo[2.2.1]heptane-1-carboxylic acid hydrochloride
• Synonyms: 4-aminobicyclo[2.2.1]heptane-1-carboxylic acid hydrochloride

Database IDs

• MDL Number: MFCD22056343
• PubChem SID: 164290853
• PubChem CID: 71755397

CALCULATED PROPERTIES

• Acid pKa: 4.258112
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8797483
• LogD (pH = 7.4): -1.8602022
• Log P: -1.8604791
• Molar Refractivity: 39.8319 cm^3
• Polarizability: 16.067627 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.143

Product Information

• Purity: 95%