2-amino-N-(2H-indazol-6-yl)acetamide dihydrochloride

• ChemBase ID: 286546
• Molecular Formular: C9H12Cl2N4O
• Molecular Mass: 263.12378
• Monoisotopic Mass: 262.03881638
• SMILES: c12c(ccc(c1)NC(=O)CN)c[nH]n2.Cl.Cl
• Canonical SMILES: NCC(=O)Nc1ccc2c(c1)n[nH]c2.Cl.Cl
• InChI: InChI=1S/C9H10N4O.2ClH/c10-4-9(14)12-7-2-1-6-5-11-13-8(6)3-7;;/h1-3,5H,4,10H2,(H,11,13)(H,12,14);2*1H
• InChIKey: FZLJASUUEXCKNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2H-indazol-6-yl)acetamide dihydrochloride
• IUPAC Traditional name: 2-amino-N-(2H-indazol-6-yl)acetamide dihydrochloride
• Synonyms: 2-amino-N-(2H-indazol-6-yl)acetamide dihydrochloride

Database IDs

• MDL Number: MFCD21602832
• PubChem SID: 180672077
• PubChem CID: 72154377

CALCULATED PROPERTIES

• Acid pKa: 13.00407
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.406743
• LogD (pH = 7.4): -0.7123231
• Log P: -0.033662584
• Molar Refractivity: 54.0463 cm^3
• Polarizability: 21.049873 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 278 - 280°C
• Hydrophobicity(logP): 0.319

Product Information

• Purity: 95%