azulen-2-amine

• ChemBase ID: 294778
• Molecular Formular: C10H9N
• Molecular Mass: 143.18516
• Monoisotopic Mass: 143.07349929
• SMILES: Nc1cc2cccccc2c1
• Canonical SMILES: Nc1cc2c(c1)ccccc2
• InChI: InChI=1S/C10H9N/c11-10-6-8-4-2-1-3-5-9(8)7-10/h1-7H,11H2
• InChIKey: URSBMMUQJIMLKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azulen-2-amine
• IUPAC Traditional name: azulen-2-amine
• Synonyms: Azulen-2-amine

Database IDs

• CAS Number: 50472-20-3
• MDL Number: MFCD18072913
• PubChem SID: 180680309
• PubChem CID: 5243928

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1326308
• LogD (pH = 7.4): 2.133782
• Log P: 2.1337967
• Molar Refractivity: 47.2086 cm^3
• Polarizability: 19.115337 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%