1-benzyl-1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)hydrazine

• ChemBase ID: 127186
• Molecular Formular: C16H18N2O2
• Molecular Mass: 270.32632
• Monoisotopic Mass: 270.13682783
• SMILES: O1c2c(OC(C1)CN(N)Cc1ccccc1)cccc2
• Canonical SMILES: NN(CC1COc2c(O1)cccc2)Cc1ccccc1
• InChI: InChI=1S/C16H18N2O2/c17-18(10-13-6-2-1-3-7-13)11-14-12-19-15-8-4-5-9-16(15)20-14/h1-9,14H,10-12,17H2
• InChIKey: IXTXYSAWZICAPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)hydrazine
• IUPAC Traditional name: 1-benzyl-1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)hydrazine
• Synonyms: Domoxin

Database IDs

• CAS Number: 61-74-5
• PubChem SID: 162221508
• PubChem CID: 208853
• Chemspider ID: 180960
• Wikipedia Title: Domoxin

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9494057
• LogD (pH = 7.4): 2.226108
• Log P: 2.2310734
• Molar Refractivity: 78.5067 cm^3
• Polarizability: 30.771172 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true