3-aminobicyclo[2.2.1]heptane-2-carboxamide hydrochloride

• ChemBase ID: 277568
• Molecular Formular: C8H15ClN2O
• Molecular Mass: 190.6705
• Monoisotopic Mass: 190.08729079
• SMILES: C1(C2CC(C1N)CC2)C(=O)N.Cl
• Canonical SMILES: NC(=O)C1C2CCC(C1N)C2.Cl
• InChI: InChI=1S/C8H14N2O.ClH/c9-7-5-2-1-4(3-5)6(7)8(10)11;/h4-7H,1-3,9H2,(H2,10,11);1H
• InChIKey: BADFFNNCBQFSCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminobicyclo[2.2.1]heptane-2-carboxamide hydrochloride
• IUPAC Traditional name: 3-aminobicyclo[2.2.1]heptane-2-carboxamide hydrochloride
• Synonyms: 3-aminobicyclo[2.2.1]heptane-2-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD19982390
• PubChem SID: 164333478
• PubChem CID: 53613691

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4929807
• LogD (pH = 7.4): -2.5107853
• Log P: -0.51078165
• Molar Refractivity: 41.4581 cm^3
• Polarizability: 16.74643 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 16.540049

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.123

Product Information

• Purity: 95%