N,N-dipropylformamide

• ChemBase ID: 302117
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: CCCN(CCC)C=O
• Canonical SMILES: CCCN(C=O)CCC
• InChI: InChI=1S/C7H15NO/c1-3-5-8(7-9)6-4-2/h7H,3-6H2,1-2H3
• InChIKey: XFTIKWYXFSNCQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dipropylformamide
• IUPAC Traditional name: formamide, N,N-di-n-propyl-
• Synonyms: N,N-Di-n-propylformamide; N,N-二正丙基甲酰胺

Database IDs

• CAS Number: 6282-00-4
• EC Number: 000-000-0
• MDL Number: MFCD00043518
• Beilstein Number: 635928

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1270256
• LogD (pH = 7.4): 1.1270258
• Log P: 1.1270258
• Molar Refractivity: 38.314 cm^3
• Polarizability: 14.829458 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 100-101°C/18mm
• Flash Point: 88°C(190°F)
• Refractive Index: 1.4395

Safety Information

• RTECS: LQ2625000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 23-26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A

Product Information

• Purity: 96%