1-ethyl-1H-indazol-3-amine

• ChemBase ID: 50226
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: n1c(c2c(n1CC)cccc2)N
• Canonical SMILES: CCn1nc(c2c1cccc2)N
• InChI: InChI=1S/C9H11N3/c1-2-12-8-6-4-3-5-7(8)9(10)11-12/h3-6H,2H2,1H3,(H2,10,11)
• InChIKey: NIWQOSLMYFEMKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-1H-indazol-3-amine
• IUPAC Traditional name: 1-ethylindazol-3-amine
• Synonyms: 1-Ethyl-1H-indazol-3-amine; 1-Ethyl-1H-indazol-3-amine

Database IDs

• CAS Number: 927802-20-8
• MDL Number: MFCD09054756
• PubChem SID: 162054989
• PubChem CID: 28064807

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5415374
• LogD (pH = 7.4): 1.5423133
• Log P: 1.5423232
• Molar Refractivity: 61.0516 cm^3
• Polarizability: 19.404087 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C9H11N3

DETAILS

Sigma Aldrich - CBR00053

Other Notes
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Legal Information
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