1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine hydrochloride

• ChemBase ID: 84009
• Molecular Formular: C10H20ClN
• Molecular Mass: 189.7255
• Monoisotopic Mass: 189.12842733
• SMILES: NC1C2(C(C(C1)CC2)(C)C)C.Cl
• Canonical SMILES: NC1CC2C(C1(C)CC2)(C)C.Cl
• InChI: InChI=1S/C10H19N.ClH/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7-8H,4-6,11H2,1-3H3;1H
• InChIKey: XVVITZVHMWAHIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine hydrochloride
• IUPAC Traditional name: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine hydrochloride
• Synonyms: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine hydrochloride

Database IDs

• CAS Number: 32768-19-7
• MDL Number: MFCD00180693
• PubChem SID: 162071125
• PubChem CID: 458423

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.140725
• LogD (pH = 7.4): -0.70140266
• Log P: 1.8825761
• Molar Refractivity: 46.9718 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160 - 163°C
• Hydrophobicity(logP): 2.679

Product Information

• Purity: 95%; 97%