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Name |
Formamide, N-(1-cyanoethyl)- |
EINECS | 248-440-4 |
CAS No. | 27394-99-6 | Density | 1.038 g/cm3 |
PSA | 56.38000 | LogP | 0.48478 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H6N2O | Boiling Point | 323.8 °C at 760 mmHg |
Molecular Weight | 98.1044 | Flash Point | 149.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(Formylamino)propionitrile;N-(1-Cyanoethyl)formamide;N-(1-Cyanoethyl)formamide; |
Article Data | 7 |
The Formamide, N-(1-cyanoethyl)-, with the CAS registry number 27394-99-6 and EINECS registry number 248-440-4, has the systematic name and IUPAC name of N-(1-cyanoethyl)formamide. And the molecular formula of the chemical is C4H6N2O.
The characteristics of Formamide, N-(1-cyanoethyl)- are as followings: (1)ACD/LogP: -0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.77; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.03; (8)ACD/KOC (pH 7.4): 9.03; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.1 Å2; (13)Index of Refraction: 1.426; (14)Molar Refractivity: 24.23 cm3; (15)Molar Volume: 94.4 cm3; (16)Polarizability: 9.6×10-24cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.038 g/cm3; (19)Flash Point: 149.6 °C; (20)Enthalpy of Vaporization: 56.58 kJ/mol; (21)Boiling Point: 323.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000256 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#CC(NC=O)C
(2)InChI: InChI=1/C4H6N2O/c1-4(2-5)6-3-7/h3-4H,1H3,(H,6,7)
(3)InChIKey: ONONIESHMTZAKB-UHFFFAOYAZ