N,N-dimethylhexanamide

• ChemBase ID: 109566
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: CCCCCC(=O)N(C)C
• Canonical SMILES: CCCCCC(=O)N(C)C
• InChI: InChI=1S/C8H17NO/c1-4-5-6-7-8(10)9(2)3/h4-7H2,1-3H3
• InChIKey: OAERLTPBKQBWHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylhexanamide
• IUPAC Traditional name: hexanamide, N,N-dimethyl-
• Synonyms: N,N-DIMETHYLHEXANAMIDE TECHNICAL GRADE; N,N-Dimethylcaproamide; N,N-Dimethylhexanamide; N,N-二甲基己酰胺

Database IDs

• CAS Number: 5830-30-8
• EC Number: 227-406-2
• MDL Number: MFCD00043671
• Beilstein Number: 1747074
• PubChem SID: 162095230
• PubChem CID: 22084

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4513055
• LogD (pH = 7.4): 1.4513056
• Log P: 1.4513056
• Molar Refractivity: 42.6892 cm^3
• Polarizability: 16.67138 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 80°C/1mm
• Density: 0.890
• Refractive Index: 1.4490

Safety Information

• RTECS: MN7950000
• European Hazard Symbols: X
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302
• GHS Precautionary statements: P264-P270-P301+P312-P330-P501A

Product Information

• Purity: 98%
• Grade: TECHNICAL