1-methyl-1H-indazol-7-amine

• ChemBase ID: 64328
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: n1n(c2c(c1)cccc2N)C
• Canonical SMILES: Nc1cccc2c1n(C)nc2
• InChI: InChI=1S/C8H9N3/c1-11-8-6(5-10-11)3-2-4-7(8)9/h2-5H,9H2,1H3
• InChIKey: FKQDTYKVWIDGNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-indazol-7-amine
• IUPAC Traditional name: 1-methylindazol-7-amine
• Synonyms: 7-Amino-1-methylindazole; 1-Methyl-1H-indazol-7-ylamine; 1-Methyl-1H-indazol-7-amine; 7-Amino-1-methyl-1H-indazole

Database IDs

• CAS Number: 41926-06-1
• MDL Number: MFCD09870043
• PubChem SID: 162030067
• PubChem CID: 18545442

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5857278
• LogD (pH = 7.4): 0.5909903
• Log P: 0.5910578
• Molar Refractivity: 55.9895 cm^3
• Polarizability: 17.563395 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131-133°C

Safety Information

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

Product Information

• Purity: 97%