hexadecanehydrazide

• ChemBase ID: 27145
• Molecular Formular: C16H34N2O
• Molecular Mass: 270.45396
• Monoisotopic Mass: 270.26711372
• SMILES: C(=O)(NN)CCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)NN
• InChI: InChI=1S/C16H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)18-17/h2-15,17H2,1H3,(H,18,19)
• InChIKey: SSVSELJXJJCANX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecanehydrazide
• IUPAC Traditional name: hexadecanehydrazide
• Synonyms: Palmitohydrazide; Hexadecanoic acid hydrazide; Palmitic acid hydrazide; 棕榈酸酰肼

Database IDs

• CAS Number: 2619-88-7
• MDL Number: MFCD00066357
• Beilstein Number: 1784616
• PubChem SID: 160990452
• PubChem CID: 225536

CALCULATED PROPERTIES

• Acid pKa: 13.358329
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 5.150611
• LogD (pH = 7.4): 5.153132
• Log P: 5.1531644
• Molar Refractivity: 83.3899 cm^3
• Polarizability: 32.847603 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 150-152°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%