N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 241767
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: c12c(n(nc1)C)CCCC2NC
• Canonical SMILES: CNC1CCCc2c1cnn2C
• InChI: InChI=1S/C9H15N3/c1-10-8-4-3-5-9-7(8)6-11-12(9)2/h6,8,10H,3-5H2,1-2H3
• InChIKey: MFIODOVASIYUGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine

Database IDs

• MDL Number: MFCD11621015
• PubChem SID: 164297677
• PubChem CID: 43254490

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4237354
• LogD (pH = 7.4): -1.1739191
• Log P: 0.71234125
• Molar Refractivity: 60.4227 cm^3
• Polarizability: 18.817173 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.368

Product Information

• Purity: 95%