2-(2-oxoazepan-1-yl)acetohydrazide

• ChemBase ID: 235293
• Molecular Formular: C8H15N3O2
• Molecular Mass: 185.2236
• Monoisotopic Mass: 185.11642674
• SMILES: N1(C(=O)CCCCC1)CC(=O)NN
• Canonical SMILES: NNC(=O)CN1CCCCCC1=O
• InChI: InChI=1S/C8H15N3O2/c9-10-7(12)6-11-5-3-1-2-4-8(11)13/h1-6,9H2,(H,10,12)
• InChIKey: UWPFRDXXVMXESX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-oxoazepan-1-yl)acetohydrazide
• IUPAC Traditional name: 2-(2-oxoazepan-1-yl)acetohydrazide
• Synonyms: 2-(2-oxoazepan-1-yl)acetohydrazide

Database IDs

• MDL Number: MFCD06357842
• PubChem SID: 164291203
• PubChem CID: 3804549

CALCULATED PROPERTIES

• Acid pKa: 12.710167
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0931795
• LogD (pH = 7.4): -1.0922447
• Log P: -1.0922309
• Molar Refractivity: 48.7475 cm^3
• Polarizability: 18.63131 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.411

Product Information

• Purity: 95%