6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

• ChemBase ID: 265594
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: c12c(CCCCC1N)cccc2
• Canonical SMILES: NC1CCCCc2c1cccc2
• InChI: InChI=1S/C11H15N/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8,12H2
• InChIKey: UFBOKWPYNNXYIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
• IUPAC Traditional name: 6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
• Synonyms: 6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

Database IDs

• MDL Number: MFCD09040657
• PubChem SID: 164321504
• PubChem CID: 25244

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.47592187
• LogD (pH = 7.4): 0.25144726
• Log P: 2.5323758
• Molar Refractivity: 51.3142 cm^3
• Polarizability: 20.307987 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.626

Product Information

• Purity: 95%