adamantan-1-amine hydrochloride

• ChemBase ID: 77203
• Molecular Formular: C10H18ClN
• Molecular Mass: 187.70962
• Monoisotopic Mass: 187.11277726
• SMILES: C12C[C@@H]3CC(C1)CC(C2)(C3)N.Cl
• Canonical SMILES: NC12CC3C[C@@H](C2)CC(C1)C3.Cl
• InChI: InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H/t7-,8?,9?,10?
• InChIKey: WOLHOYHSEKDWQH-MHYLRVQGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: adamantan-1-amine hydrochloride
• IUPAC Traditional name: amantidine hydrochloride
• Synonyms: Adamantan-1-amine hydrochloride; 1-Aminoadamantane hydrochloride

Database IDs

• CAS Number: 665-66-7
• MDL Number: MFCD00074723
• PubChem SID: 162042076
• PubChem CID: 64150

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5643042
• LogD (pH = 7.4): -1.3837394
• Log P: 1.4659475
• Molar Refractivity: 45.5356 cm^3
• Polarizability: 18.504875 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300°C

Safety Information

• Storage Warning: Harmful/Hygroscopic/Store under Argon