octadecanehydrazide

• ChemBase ID: 52544
• Molecular Formular: C18H38N2O
• Molecular Mass: 298.50712
• Monoisotopic Mass: 298.29841385
• SMILES: C(=O)(CCCCCCCCCCCCCCCCC)NN
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)NN
• InChI: InChI=1S/C18H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)20-19/h2-17,19H2,1H3,(H,20,21)
• InChIKey: BYTFESSQUGDMQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadecanehydrazide
• IUPAC Traditional name: octadecanehydrazide
• Synonyms: Octadecanoic hydrazide; Stearic acid hydrazide; Stearic acid hydrazide; STEARIC HYDRAZIDE; 硬脂酸肼

Database IDs

• CAS Number: 4130-54-5
• EC Number: 223-946-8
• MDL Number: MFCD00014764
• PubChem SID: 162057307
• PubChem CID: 20088

CALCULATED PROPERTIES

• Acid pKa: 13.358329
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 6.039748
• LogD (pH = 7.4): 6.042269
• Log P: 6.0423017
• Molar Refractivity: 92.5919 cm^3
• Polarizability: 36.53815 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 112-115°C; 114-116°C

Safety Information

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

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05204135

MP Biomedicals Rare Chemical collection