(1-methyl-1H-indazol-3-yl)methanamine

• ChemBase ID: 87998
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: n1c(c2c(cccc2)n1C)CN
• Canonical SMILES: NCc1nn(c2c1cccc2)C
• InChI: InChI=1S/C9H11N3/c1-12-9-5-3-2-4-7(9)8(6-10)11-12/h2-5H,6,10H2,1H3
• InChIKey: SNWIPUWAHWNMKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-indazol-3-yl)methanamine
• IUPAC Traditional name: (1-methylindazol-3-yl)methanamine
• Synonyms: (1-Methyl-1H-indazol-3-yl)methanamine; (1-Methyl-1H-indazol-3-yl)methylamine; 3-(Aminomethyl)-1-methyl-1H-indazole 97%

Database IDs

• CAS Number: 739359-10-5
• MDL Number: MFCD08271877
• PubChem SID: 162075038
• PubChem CID: 7537468

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1641066
• LogD (pH = 7.4): -0.64900744
• Log P: 0.6272241
• Molar Refractivity: 59.2403 cm^3
• Polarizability: 19.817387 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95+%