{3-[(1-benzyl-1H-indazol-3-yl)oxy]propyl}diethylamine

• ChemBase ID: 53269
• Molecular Formular: C21H27N3O
• Molecular Mass: 337.45858
• Monoisotopic Mass: 337.2154125
• SMILES: c1ccc2c(c1)c(nn2Cc1ccccc1)OCCCN(CC)CC
• Canonical SMILES: CCN(CCCOc1nn(c2c1cccc2)Cc1ccccc1)CC
• InChI: InChI=1S/C21H27N3O/c1-3-23(4-2)15-10-16-25-21-19-13-8-9-14-20(19)24(22-21)17-18-11-6-5-7-12-18/h5-9,11-14H,3-4,10,15-17H2,1-2H3
• InChIKey: UZNJSMFIGONURK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(1-benzyl-1H-indazol-3-yl)oxy]propyl}diethylamine
• IUPAC Traditional name: {3-[(1-benzylindazol-3-yl)oxy]propyl}diethylamine
• Synonyms: 1-Benzyl-3-(3-diethylaminopropyloxy)-1H-indazole; N,N-Diethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine Hydrochloride; 1-Benzyl-3-[3-(diethylamino)propoxy]-1H-indazole

Database IDs

• CAS Number: 47448-66-8
• MDL Number: MFCD09753833
• PubChem SID: 162058032
• PubChem CID: 46835779

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9354916
• LogD (pH = 7.4): 2.000518
• Log P: 4.373463
• Molar Refractivity: 115.0601 cm^3
• Polarizability: 41.169983 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%

DETAILS

Toronto Research Chemicals - B275750

Indazolone derivative.