1H-indazol-7-amine dihydrochloride

• ChemBase ID: 36954
• Molecular Formular: C7H9Cl2N3
• Molecular Mass: 206.07246
• Monoisotopic Mass: 205.01735266
• SMILES: c1cc(c2c(c1)cn[nH]2)N.Cl.Cl
• Canonical SMILES: Nc1cccc2c1[nH]nc2.Cl.Cl
• InChI: InChI=1S/C7H7N3.2ClH/c8-6-3-1-2-5-4-9-10-7(5)6;;/h1-4H,8H2,(H,9,10);2*1H
• InChIKey: FEIGHUJDZDHFRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazol-7-amine dihydrochloride
• IUPAC Traditional name: 1H-indazol-7-amine dihydrochloride
• Synonyms: 1H-Indazol-7-amine dihydrochloride

Database IDs

• MDL Number: MFCD12028053
• PubChem SID: 161000261
• PubChem CID: 19354422

CALCULATED PROPERTIES

• Acid pKa: 13.689824
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.43093815
• LogD (pH = 7.4): 0.46690306
• Log P: 0.46738175
• Molar Refractivity: 40.7735 cm^3
• Polarizability: 15.800579 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false