methyl[(1-methyl-1H-indazol-3-yl)methyl]amine

• ChemBase ID: 88002
• Molecular Formular: C10H13N3
• Molecular Mass: 175.23032
• Monoisotopic Mass: 175.11094743
• SMILES: n1c(c2c(cccc2)n1C)CNC
• Canonical SMILES: CNCc1nn(c2c1cccc2)C
• InChI: InChI=1S/C10H13N3/c1-11-7-9-8-5-3-4-6-10(8)13(2)12-9/h3-6,11H,7H2,1-2H3
• InChIKey: XDQYKASLVAVERE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-methyl-1H-indazol-3-yl)methyl]amine
• IUPAC Traditional name: methyl[(1-methylindazol-3-yl)methyl]amine
• Synonyms: N-methyl-N-[(1-methyl-1H-indazol-3-yl)methyl]amine; N-Methyl-N-[(1-methyl-1H-indazol-3-yl)methyl]amine 97%

Database IDs

• CAS Number: 124491-38-9
• MDL Number: MFCD08060498
• PubChem SID: 162075042
• PubChem CID: 7537473

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8363134
• LogD (pH = 7.4): -0.21510842
• Log P: 1.0598044
• Molar Refractivity: 64.0149 cm^3
• Polarizability: 21.664413 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 37-41°C

Product Information

• Purity: 97%