2-ethyl-2H-indazol-6-amine

• ChemBase ID: 265433
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: c12nn(cc1ccc(c2)N)CC
• Canonical SMILES: CCn1cc2c(n1)cc(cc2)N
• InChI: InChI=1S/C9H11N3/c1-2-12-6-7-3-4-8(10)5-9(7)11-12/h3-6H,2,10H2,1H3
• InChIKey: GHQLGRSPVIDMAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-2H-indazol-6-amine
• IUPAC Traditional name: 2-ethylindazol-6-amine
• Synonyms: 2-ethyl-2H-indazol-6-amine

Database IDs

• MDL Number: MFCD14705750
• PubChem SID: 164321343
• PubChem CID: 12378222

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3023999
• LogD (pH = 7.4): 1.3042908
• Log P: 1.304315
• Molar Refractivity: 60.4886 cm^3
• Polarizability: 19.413643 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97 - 99°C
• Hydrophobicity(logP): 1.274

Product Information

• Purity: 95%