1-methyl-1H-indazol-6-amine

• ChemBase ID: 42836
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: n1n(c2c(c1)ccc(c2)N)C
• Canonical SMILES: Nc1ccc2c(c1)n(C)nc2
• InChI: InChI=1S/C8H9N3/c1-11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,9H2,1H3
• InChIKey: YTKNUPJYGSOVLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-indazol-6-amine
• IUPAC Traditional name: 1-methylindazol-6-amine
• Synonyms: 1-Methyl-1H-indazol-6-amine; 1-Methyl-1H-indazol-6-amine; 6-Amino-1-methyl-1H-indazole; 1-METHYL-1H-INDAZOL-6-YLAMINE; 1-Methyl-1H-indazole-6-ylamine

Database IDs

• CAS Number: 74728-65-7
• MDL Number: MFCD00456076
• PubChem SID: 162047599
• PubChem CID: 840433

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5869858
• LogD (pH = 7.4): 0.5910063
• Log P: 0.5910578
• Molar Refractivity: 55.9895 cm^3
• Polarizability: 17.560417 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172 - 173 °C; 172-173°C
• Partition Coefficient: 0.681

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; >97%; 95+%; 98%