4-aminoadamantan-1-ol

• ChemBase ID: 306660
• Molecular Formular: C10H17NO
• Molecular Mass: 167.24808
• Monoisotopic Mass: 167.13101417
• SMILES: C12(CC3C(C(C1)CC(C3)C2)N)O
• Canonical SMILES: NC1C2CC3CC1CC(C2)(C3)O
• InChI: InChI=1S/C10H17NO/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9,12H,1-5,11H2
• InChIKey: HMPCLMSUNVOZLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminoadamantan-1-ol
• IUPAC Traditional name: 4-aminoadamantan-1-ol
• Synonyms: 4-aminoadamantan-1-ol

Database IDs

• CAS Number: 75375-89-2
• MDL Number: MFCD01838554

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7894106
• LogD (pH = 7.4): -2.3862374
• Log P: 0.23513648
• Molar Refractivity: 47.0511 cm^3
• Polarizability: 19.106407 Å^3
• Polar Surface Area: 46.25 Å^2