1-(2-methoxyethyl)-1H-indazol-6-amine

• ChemBase ID: 264505
• Molecular Formular: C10H13N3O
• Molecular Mass: 191.22972
• Monoisotopic Mass: 191.10586205
• SMILES: n1n(c2c(c1)ccc(c2)N)CCOC
• Canonical SMILES: COCCn1ncc2c1cc(N)cc2
• InChI: InChI=1S/C10H13N3O/c1-14-5-4-13-10-6-9(11)3-2-8(10)7-12-13/h2-3,6-7H,4-5,11H2,1H3
• InChIKey: QELFMFBHJLYFOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-1H-indazol-6-amine
• IUPAC Traditional name: 1-(2-methoxyethyl)indazol-6-amine
• Synonyms: 1-(2-methoxyethyl)-1H-indazol-6-amine

Database IDs

• MDL Number: MFCD09727470
• PubChem SID: 164320415
• PubChem CID: 22693502

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.54023325
• LogD (pH = 7.4): 0.54403365
• Log P: 0.5440823
• Molar Refractivity: 67.033 cm^3
• Polarizability: 21.913351 Å^3
• Polar Surface Area: 53.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86 - 88°C
• Hydrophobicity(logP): 0.811

Product Information

• Purity: 95%