1-ethyl-1H-indazol-6-amine

• ChemBase ID: 264936
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: n1n(c2c(c1)ccc(c2)N)CC
• Canonical SMILES: CCn1ncc2c1cc(N)cc2
• InChI: InChI=1S/C9H11N3/c1-2-12-9-5-8(10)4-3-7(9)6-11-12/h3-6H,2,10H2,1H3
• InChIKey: ODMRWSSWTARSNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-1H-indazol-6-amine
• IUPAC Traditional name: 1-ethylindazol-6-amine
• Synonyms: 1-ethyl-1H-indazol-6-amine

Database IDs

• MDL Number: MFCD09727515
• PubChem SID: 164320846
• PubChem CID: 12378220

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9435912
• LogD (pH = 7.4): 0.94781166
• Log P: 0.9478658
• Molar Refractivity: 60.7381 cm^3
• Polarizability: 19.407124 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): 1.274

Product Information

• Purity: 95%