(1-methyl-1H-indazol-6-yl)methanamine

• ChemBase ID: 241691
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: n1n(c2c(c1)ccc(c2)CN)C
• Canonical SMILES: Cn1ncc2c1cc(CN)cc2
• InChI: InChI=1S/C9H11N3/c1-12-9-4-7(5-10)2-3-8(9)6-11-12/h2-4,6H,5,10H2,1H3
• InChIKey: SCHZPLZUVGWXMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-indazol-6-yl)methanamine
• IUPAC Traditional name: (1-methylindazol-6-yl)methanamine
• Synonyms: (1-methyl-1H-indazol-6-yl)methanamine

Database IDs

• MDL Number: MFCD12028600
• PubChem SID: 164297601
• PubChem CID: 23000230

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4283853
• LogD (pH = 7.4): -1.3926846
• Log P: 0.54575217
• Molar Refractivity: 59.7625 cm^3
• Polarizability: 19.81491 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.593

Product Information

• Purity: 95%