3-(diethylamino)propanehydrazide

• ChemBase ID: 24286
• Molecular Formular: C7H17N3O
• Molecular Mass: 159.22938
• Monoisotopic Mass: 159.13716218
• SMILES: C(=O)(CCN(CC)CC)NN
• Canonical SMILES: CCN(CCC(=O)NN)CC
• InChI: InChI=1S/C7H17N3O/c1-3-10(4-2)6-5-7(11)9-8/h3-6,8H2,1-2H3,(H,9,11)
• InChIKey: FAXGCFPTKUTKRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(diethylamino)propanehydrazide
• IUPAC Traditional name: 3-(diethylamino)propanehydrazide
• Synonyms: 3-(Diethylamino)propanohydrazide

Database IDs

• CAS Number: 83742-04-5
• MDL Number: MFCD05267739
• PubChem SID: 160987593
• PubChem CID: 2098030

CALCULATED PROPERTIES

• Acid pKa: 13.473242
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9094787
• LogD (pH = 7.4): -2.7612846
• Log P: -0.48463687
• Molar Refractivity: 46.5756 cm^3
• Polarizability: 17.785816 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.024

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%