N-methyladamantan-2-amine hydrochloride

• ChemBase ID: 254873
• Molecular Formular: C11H20ClN
• Molecular Mass: 201.7362
• Monoisotopic Mass: 201.12842733
• SMILES: C12C(C3CC(C1)CC(C3)C2)NC.Cl
• Canonical SMILES: CNC1C2CC3CC1CC(C2)C3.Cl
• InChI: InChI=1S/C11H19N.ClH/c1-12-11-9-3-7-2-8(5-9)6-10(11)4-7;/h7-12H,2-6H2,1H3;1H
• InChIKey: ZQIAMRFXENPTIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyladamantan-2-amine hydrochloride
• IUPAC Traditional name: N-methyladamantan-2-amine hydrochloride
• Synonyms: N-2-adamantyl-N-methylamine hydrochloride

Database IDs

• CAS Number: 10523-69-0
• MDL Number: MFCD01674019
• PubChem SID: 164310783
• PubChem CID: 25333

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2563988
• LogD (pH = 7.4): -1.0844641
• Log P: 1.9829241
• Molar Refractivity: 50.1436 cm^3
• Polarizability: 20.35101 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 366 - 368°C
• Hydrophobicity(logP): 2.141

Product Information

• Purity: 95%