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CAS No.: | 16250-37-6 |
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Name: | N-Allylformamide |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C4H7NO |
Molecular Weight: | 85.1057 |
Synonyms: | NSC 77938;Formamide,N-2-propenyl- (9CI);Formamide, N-allyl- (6CI,8CI);Allylformamide; |
Density: | 0.888 g/cm3 |
Boiling Point: | 223.1 °C at 760 mmHg |
Flash Point: | 114.4 °C |
PSA: | 29.10000 |
LogP: | 0.94520 |
The N-Allylformamide, with the CAS registry number 16250-37-6, is also known as Formamide, N-2-propen-1-yl-. It belongs to the product categories of Aldehydes; Aliphatics. This chemical's molecular formula is C4H7NO and molecular weight is 85.10. Its IUPAC name is called N-prop-2-enylformamide.
Physical properties of N-Allylformamide: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.77; (8)ACD/KOC (pH 7.4): 31.77; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.416; (13)Molar Refractivity: 24.08 cm3; (14)Molar Volume: 95.7 cm3; (15)Surface Tension: 26.4 dyne/cm; (16)Density: 0.888 g/cm3; (17)Flash Point: 114.4 °C; (18)Enthalpy of Vaporization: 45.96 kJ/mol; (19)Boiling Point: 223.1 °C at 760 mmHg; (20)Vapour Pressure: 0.0979 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CCNC=O
(2)InChI: InChI=1S/C4H7NO/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)
(3)InChIKey: SHIGCAOWAAOWIG-UHFFFAOYSA-N