N-Methyl-N-nitrosourethane - ≥95%(GC) , CAS No.615-53-2

CAS: 615-53-2 Cat. No.: N135222 Molecular Weight: 132.12 EC Number: 210-432-3

GRADE & PURITY ≥95%(GC)

Synonyms

Ethyl methylnitrosocarbamate | Nm-urethane | N-Methyl-N-nitrosoethylcarbamate | N-NITROSO-N-METHYLURETHANE | NSC 2860 | HSDB 5113 | UNII-741GDM4803 | CCRIS 471 | Ethyl 1-methyl-2-oxohydrazinecarboxylate # | Methylnitrosourethane | Ethylester kyseliny N-me

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Ethyl methylnitrosocarbamate | Nm-urethane | N-Methyl-N-nitrosoethylcarbamate | N-NITROSO-N-METHYLURETHANE | NSC 2860 | HSDB 5113 | UNII-741GDM4803 | CCRIS 471 | Ethyl 1-methyl-2-oxohydrazinecarboxylate # | Methylnitrosourethane | Ethylester kyseliny N-me

Specifications & Purity

≥95%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504752236
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752236
• Canonical Smiles: CCOC(=O)N(C)N=O
• IUPAC Name: ethyl N-methyl-N-nitrosocarbamate
• InChIKey: CAUBWLYZCDDYEF-UHFFFAOYSA-N
• INCHI: 1S/C4H8N2O3/c1-3-9-4(7)6(2)5-8/h3H2,1-2H3
• Isomeric SMILES: CCOC(=O)N(C)N=O
• RTECS: FC6300000
• UN Number: 2811
• Packing Group: I
• Molecular Weight: 132.12
• Reaxy-Rn: 1763954
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1763954&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Organic nitroso compounds
        • Level5 Organic N-nitroso compounds
          • Level6 Nitrosamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Organic nitroso compounds
• Intermediate Tree Nodes: Organic N-nitroso compounds
• Direct Parent: Nitrosamides
• Alternative Parents: Organic carbonic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrosamide - Carbonic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrosamides. These are organonitrogen compounds with the general formula O=CN(R)-N=O, where R=H or organyl group.
• External Descriptors: carboxylic ester

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in benzene, ether, alcohol
• Sensitivity: Air sensitive;Heat sensitive
• Refractive Index: 1.44
• Boil Point(°C): 66 °C
• Molecular Weight: 132.120 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 132.053 Da
• Monoisotopic Mass: 132.053 Da
• Topological Polar Surface Area: 59.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 114.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1