adamantan-1-ylmethanamine hydrochloride

• ChemBase ID: 233403
• Molecular Formular: C11H20ClN
• Molecular Mass: 201.7362
• Monoisotopic Mass: 201.12842733
• SMILES: C12(CC3CC(C1)CC(C2)C3)CN.Cl
• Canonical SMILES: NCC12CC3CC(C2)CC(C1)C3.Cl
• InChI: InChI=1S/C11H19N.ClH/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11;/h8-10H,1-7,12H2;1H
• InChIKey: SCNHINHHYKFASL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: adamantan-1-ylmethanamine hydrochloride; (adamantan-1-yl)methanamine hydrochloride
• IUPAC Traditional name: adamantan-1-ylmethanamine hydrochloride
• Synonyms: 1-(1-adamantyl)methanamine hydrochloride; AdaMantan-1-ylMethanaMine hydrochloride

Database IDs

• CAS Number: 1501-98-0
• MDL Number: MFCD02208192
• PubChem SID: 164289313
• PubChem CID: 12292952

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2145945
• LogD (pH = 7.4): -0.5923538
• Log P: 1.8004308
• Molar Refractivity: 50.1033 cm^3
• Polarizability: 20.35101 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 327 - 329°C
• Hydrophobicity(logP): 2.614

Product Information

• Purity: 95%; 97%
• Salt Data: HCl