N,N-diethyldodecanamide

• ChemBase ID: 295479
• Molecular Formular: C16H33NO
• Molecular Mass: 255.43932
• Monoisotopic Mass: 255.25621468
• SMILES: CCCCCCCCCCCC(=O)N(CC)CC
• Canonical SMILES: CCCCCCCCCCCC(=O)N(CC)CC
• InChI: InChI=1S/C16H33NO/c1-4-7-8-9-10-11-12-13-14-15-16(18)17(5-2)6-3/h4-15H2,1-3H3
• InChIKey: CWNSVVHTTQBGQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyldodecanamide
• IUPAC Traditional name: dodecanamide, N,N-diethyl-
• Synonyms: N,N-Diethyldodecanamide; N,N-二乙基十二胺

Database IDs

• CAS Number: 3352-87-2
• EC Number: 222-118-3
• MDL Number: MFCD00008962
• PubChem SID: 180681010
• PubChem CID: 18783

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.8323336
• LogD (pH = 7.4): 4.8323336
• Log P: 4.8323336
• Molar Refractivity: 79.7924 cm^3
• Polarizability: 31.427237 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 3-5°C
• Boiling Point: 166-167°C/2mm
• Flash Point: >110°C(230°F)
• Density: 0.847
• Refractive Index: 1.4550

Safety Information

• RTECS: RB4200000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 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: 98%