3-({[4-(diethylamino)phenyl]methyl}amino)propanehydrazide

• ChemBase ID: 24304
• Molecular Formular: C14H24N4O
• Molecular Mass: 264.36656
• Monoisotopic Mass: 264.19501141
• SMILES: C(=O)(CCNCc1ccc(N(CC)CC)cc1)NN
• Canonical SMILES: CCN(c1ccc(cc1)CNCCC(=O)NN)CC
• InChI: InChI=1S/C14H24N4O/c1-3-18(4-2)13-7-5-12(6-8-13)11-16-10-9-14(19)17-15/h5-8,16H,3-4,9-11,15H2,1-2H3,(H,17,19)
• InChIKey: PVRFIPCDMGGGKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({[4-(diethylamino)phenyl]methyl}amino)propanehydrazide
• IUPAC Traditional name: 3-({[4-(diethylamino)phenyl]methyl}amino)propanehydrazide
• Synonyms: 3-{[4-(Diethylamino)benzyl]amino}propanohydrazide

Database IDs

• MDL Number: MFCD10687269
• PubChem SID: 160987611
• PubChem CID: 28307008

CALCULATED PROPERTIES

• Acid pKa: 13.012441
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.3720956
• LogD (pH = 7.4): -0.80712664
• Log P: 0.9648321
• Molar Refractivity: 80.3221 cm^3
• Polarizability: 30.359657 Å^3
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false