(1-aminocycloheptyl)methanol

• ChemBase ID: 59198
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C1C(CCCCC1)(N)CO
• Canonical SMILES: OCC1(N)CCCCCC1
• InChI: InChI=1S/C8H17NO/c9-8(7-10)5-3-1-2-4-6-8/h10H,1-7,9H2
• InChIKey: YCUBUBCODJSBIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-aminocycloheptyl)methanol
• IUPAC Traditional name: (1-aminocycloheptyl)methanol
• Synonyms: (1-Aminocycloheptyl)methanol

Database IDs

• CAS Number: 814254-62-1
• MDL Number: MFCD12827143
• PubChem SID: 162063961
• PubChem CID: 51072289

CALCULATED PROPERTIES

• Acid pKa: 14.784953
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1702366
• LogD (pH = 7.4): -1.7035558
• Log P: 0.852047
• Molar Refractivity: 41.7159 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false