1-tert-butyl-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 259924
• Molecular Formular: C11H19N3
• Molecular Mass: 193.28866
• Monoisotopic Mass: 193.15789762
• SMILES: n1(c2c(cn1)C(N)CCC2)C(C)(C)C
• Canonical SMILES: NC1CCCc2c1cnn2C(C)(C)C
• InChI: InChI=1S/C11H19N3/c1-11(2,3)14-10-6-4-5-9(12)8(10)7-13-14/h7,9H,4-6,12H2,1-3H3
• InChIKey: CNIAQZASAMBYNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: 1-tert-butyl-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: 1-tert-butyl-4,5,6,7-tetrahydro-1H-indazol-4-amine

Database IDs

• MDL Number: MFCD21103118
• PubChem SID: 164315834
• PubChem CID: 45791492

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6398343
• LogD (pH = 7.4): -0.60042584
• Log P: 1.3337206
• Molar Refractivity: 69.4537 cm^3
• Polarizability: 22.503479 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.189

Product Information

• Purity: 95%