adamantan-2-ylmethanamine hydrochloride

• ChemBase ID: 144071
• Molecular Formular: C11H20ClN
• Molecular Mass: 201.7362
• Monoisotopic Mass: 201.12842733
• SMILES: C1C2CC3CC1CC(C2)C3CN.Cl
• Canonical SMILES: NCC1C2CC3CC1CC(C2)C3.Cl
• InChI: InChI=1S/C11H19N.ClH/c12-6-11-9-2-7-1-8(4-9)5-10(11)3-7;/h7-11H,1-6,12H2;1H
• InChIKey: GWMZVTHBQOZBAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: adamantan-2-ylmethanamine hydrochloride
• IUPAC Traditional name: adamantan-2-ylmethanamine hydrochloride
• Synonyms: (2-Adamantylmethyl)amine hydrochloride; adamantan-2-ylmethanamine hydrochloride

Database IDs

• MDL Number: MFCD02208194
• PubChem SID: 162238288
• PubChem CID: 12701453

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3145034
• LogD (pH = 7.4): -0.8936841
• Log P: 1.7094489
• Molar Refractivity: 50.2538 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

• Hydrophobicity(logP): 3.654

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C11H20ClN

DETAILS

Sigma Aldrich - CBR00932

Other Notes
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Legal Information
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