Product Name

  • Name

    N-CYANOACETYLURETHANE

  • EINECS
  • CAS No. 6629-04-5
  • Article Data12
  • CAS DataBase
  • Density 1.197
  • Solubility
  • Melting Point 167-169 °C(lit.)
  • Formula C6H8 N2 O3
  • Boiling Point 280.35°C (rough estimate)
  • Molecular Weight 156.141
  • Flash Point
  • Transport Information
  • Appearance
  • Safety Questionable carcinogen with experimental neoplastigenic data. See also CARBAMATES and CYANIDE. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes R20/21/22; R36/37/38
  • Molecular Structure Molecular Structure of 6629-04-5 (N-CYANOACETYLURETHANE)
  • Hazard Symbols Xn
  • Synonyms Carbamicacid, (cyanoacetyl)-, ethyl ester (6CI,7CI,8CI,9CI); Cyanoacetylurethan; EthylN-(cyanoacetyl)carbamate; Ethyl cyanoacetylcarbamate;N-Carbethoxy-2-cyanoacetamide; N-Cyanoacetylurethane; NSC 59709
  • PSA 79.19000
  • LogP 0.56368

N-Cyanoacetyl ethyl carbamate Chemical Properties

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

N-Cyanoacetyl ethyl carbamate Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List.

N-Cyanoacetyl ethyl carbamate Safety Profile

Questionable carcinogen with experimental neoplastigenic data. See also CARBAMATES and CYANIDE. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: HarmfulXn
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 Specification

 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 .

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