Basic Information | Post buying leads | Suppliers | Cas Database |
Molecule structure of N-Cyanoacetyl ethyl carbamate (CAS NO.6629-04-5) :
IUPAC Name: ethyl N-(2-cyanoacetyl)carbamate
Molecular Weight: 156.13932 g/mol
Molecular Formula: C6H8N2O3
Melting Point: 167-169 °C(lit.)
Density: 1.197 g/cm3
Molar Volume: 130.3 cm3
Polarizability: 13.93×10-24 cm3
Surface Tension: 44.5 dyne/cm
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 156.053492
MonoIsotopic Mass: 156.053492
Topological Polar Surface Area: 79.2
Heavy Atom Count: 11
Complexity: 203
Canonical SMILES: CCOC(=O)NC(=O)CC#N
InChI: InChI=1S/C6H8N2O3/c1-2-11-6(10)8-5(9)3-4-7/h2-3H2,1H3,(H,8,9,10)
InChIKey: HSOGVWWWGVFXGF-UHFFFAOYSA-N
EINECS of N-Cyanoacetyl ethyl carbamate (CAS NO.6629-04-5) : 229-615-4
Cyanide and its compounds are on the Community Right-To-Know List.
Questionable carcinogen with experimental neoplastigenic data. See also CARBAMATES and CYANIDE. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: Xn
Risk Statements: 20/21/22-36/37/38
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S37/39: Wear suitable gloves and eye/face protection
WGK Germany: 3
RTECS: EZ3480000
N-Cyanoacetyl ethyl carbamate (CAS NO.6629-04-5) is also called 2-Cyanoacetylurethane ; Carbamic acid, (cyanoacetyl)-, ethyl ester ; Cyanoacetyl-carbamicaciethylester ; Cyanoacetylurethan ; Ethyl cyanacetylcarbamate ; Ethyl n-(2-cyanoacetyl)carbamate .