adamantan-1-aminium chloride

• ChemBase ID: 796358
• Molecular Formular: C10H18ClN
• Molecular Mass: 187.70962
• Monoisotopic Mass: 187.11277726
• SMILES: [Cl-].[NH3+]C12CC3CC(CC(C3)C1)C2
• Canonical SMILES: [NH3+]C12CC3CC(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
• InChIKey: WOLHOYHSEKDWQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: adamantan-1-aminium chloride
• IUPAC Traditional name: adamantan-1-aminium chloride
• Synonyms: 1-AdaMantanaMine hydrochloride

Database IDs

• CAS Number: 665-66-7

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): -1.5643042
• LogD (pH = 7.4): -1.3837394
• Log P: 1.4659475
• Molar Refractivity: 56.8284 cm^3
• Polarizability: 18.434036 Å^3
• Polar Surface Area: 27.64 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%