Formamide, N-(1-cyanoethyl)- supplier

Name
N-(1-cyanoethyl)formamide
EINECS 248-440-4
CAS No. 27394-99-6
Article Data7
CAS DataBase
Density 1.038 g/cm³
Solubility
Melting Point
Formula C₄H₆N₂O
Boiling Point 323.8 °C at 760 mmHg
Molecular Weight 98.1044
Flash Point 149.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Formylamino)propionitrile;N-(1-Cyanoethyl)formamide;N-(1-Cyanoethyl)formamide;
PSA 56.38000
LogP 0.48478

Formamide, N-(1-cyanoethyl)- Specification

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

Product Name

N-(1-cyanoethyl)formamide

Formamide, N-(1-cyanoethyl)- Specification

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