2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine

• ChemBase ID: 811833
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: c12CCNCCc1cc(cc2)N
• Canonical SMILES: Nc1ccc2c(c1)CCNCC2
• InChI: InChI=1S/C10H14N2/c11-10-2-1-8-3-5-12-6-4-9(8)7-10/h1-2,7,12H,3-6,11H2
• InChIKey: LOXPKSAIAHLVML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
• IUPAC Traditional name: 2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
• Synonyms: 2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPIN-7-AMINE

Database IDs

• CAS Number: 107393-73-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2447286
• LogD (pH = 7.4): -1.6155351
• Log P: 1.0312184
• Molar Refractivity: 52.071 cm^3
• Polarizability: 19.495413 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%