2-(4,5,6,7-tetrahydro-2H-indazol-3-yl)ethan-1-amine

• ChemBase ID: 306713
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: n1[nH]c(c2c1CCCC2)CCN
• Canonical SMILES: NCCc1[nH]nc2c1CCCC2
• InChI: InChI=1S/C9H15N3/c10-6-5-9-7-3-1-2-4-8(7)11-12-9/h1-6,10H2,(H,11,12)
• InChIKey: LGBZUOMTQQXJOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,5,6,7-tetrahydro-2H-indazol-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4,5,6,7-tetrahydro-2H-indazol-3-yl)ethanamine
• Synonyms: 2-(4,5,6,7-tetrahydro-2H-indazol-3-yl)ethanamine

Database IDs

• CAS Number: 806597-38-6
• MDL Number: MFCD20491789

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3048728
• LogD (pH = 7.4): -1.6404638
• Log P: 0.70932925
• Molar Refractivity: 50.0201 cm^3
• Polarizability: 18.742418 Å^3
• Polar Surface Area: 54.7 Å^2