(1-methyl-1H-indazol-6-yl)methanamine hydrochloride

• ChemBase ID: 87429
• Molecular Formular: C9H12ClN3
• Molecular Mass: 197.66468
• Monoisotopic Mass: 197.07197508
• SMILES: n1cc2ccc(cc2n1C)CN.Cl
• Canonical SMILES: Cn1ncc2c1cc(CN)cc2.Cl
• InChI: InChI=1S/C9H11N3.ClH/c1-12-9-4-7(5-10)2-3-8(9)6-11-12;/h2-4,6H,5,10H2,1H3;1H
• InChIKey: ZMZQIKDKZAUBBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-indazol-6-yl)methanamine hydrochloride
• IUPAC Traditional name: (1-methylindazol-6-yl)methanamine hydrochloride
• Synonyms: (1-Methyl-1H-indazol-6-yl)methylamine hydrochloride; 6-(Aminomethyl)-1-methyl-1H-indazole hydrochloride

Database IDs

• MDL Number: MFCD12028600
• PubChem SID: 162074511
• PubChem CID: 53395550

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4283853
• LogD (pH = 7.4): -1.3926846
• Log P: 0.54575217
• Molar Refractivity: 59.7625 cm^3
• Polarizability: 19.81491 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold