2,3-dimethyl-2H-indazol-6-amine

• ChemBase ID: 63275
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: c12c(nn(c1C)C)cc(cc2)N
• Canonical SMILES: Nc1ccc2c(c1)nn(c2C)C
• InChI: InChI=1S/C9H11N3/c1-6-8-4-3-7(10)5-9(8)11-12(6)2/h3-5H,10H2,1-2H3
• InChIKey: PVNVSSNARYHLRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl-2H-indazol-6-amine
• IUPAC Traditional name: 2,3-dimethylindazol-6-amine
• Synonyms: 6-Amino-2,3-dimethyl-2H-indazole; 2,3-Dimethyl-2H-indazol-6-amine

Database IDs

• CAS Number: 444731-72-0
• MDL Number: MFCD09258896
• PubChem SID: 162029014
• PubChem CID: 11542827

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1447355
• LogD (pH = 7.4): 1.1470389
• Log P: 1.1470684
• Molar Refractivity: 60.8897 cm^3
• Polarizability: 19.330175 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%