1-methyl-1H-indazol-3-amine

• ChemBase ID: 43965
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: n1c(c2c(n1C)cccc2)N
• Canonical SMILES: Cn1nc(c2c1cccc2)N
• InChI: InChI=1S/C8H9N3/c1-11-7-5-3-2-4-6(7)8(9)10-11/h2-5H,1H3,(H2,9,10)
• InChIKey: NYLGITXFVVEBLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-indazol-3-amine
• IUPAC Traditional name: 1-methylindazol-3-amine
• Synonyms: 1-Methyl-1H-indazol-3-amine; 3-Amino-1-methyl-1H-indazole; 1-Methyl-1H-indazol-3-amine; 3-Amino-1-methyl-1H-indazole

Database IDs

• CAS Number: 60301-20-4
• MDL Number: MFCD09054755
• PubChem SID: 162048728
• PubChem CID: 12291317

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.184666
• LogD (pH = 7.4): 1.1855047
• Log P: 1.1855153
• Molar Refractivity: 56.303 cm^3
• Polarizability: 17.557375 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85 - 88 °C; 85-88°C; 95-97°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: >95%; 97%