1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine hydrochloride

• ChemBase ID: 55420
• Molecular Formular: C15H20ClN3
• Molecular Mass: 277.7924
• Monoisotopic Mass: 277.13457534
• SMILES: C1CCc2c(C1N)cnn2c1ccc(c(c1)C)C.Cl
• Canonical SMILES: NC1CCCc2c1cnn2c1ccc(c(c1)C)C.Cl
• InChI: InChI=1S/C15H19N3.ClH/c1-10-6-7-12(8-11(10)2)18-15-5-3-4-14(16)13(15)9-17-18;/h6-9,14H,3-5,16H2,1-2H3;1H
• InChIKey: DKPUCTWJCNKIOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine hydrochloride
• IUPAC Traditional name: 1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine hydrochloride
• Synonyms: 1-(3,4-Dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine hydrochloride

Database IDs

• MDL Number: MFCD15146556
• PubChem SID: 162060183
• PubChem CID: 50998498

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.004679013
• LogD (pH = 7.4): 1.0600306
• Log P: 2.9645622
• Molar Refractivity: 75.1888 cm^3
• Polarizability: 29.052242 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