N-Formylethylamine - ≥97% , CAS No.627-45-2

CAS: 627-45-2 Cat. No.: N159329 Formula: C₃H₇NO Molecular Weight: 73.1 Beilstein Registry Number: 1737860 EC Number: 211-001-2

GRADE & PURITY ≥97%

Synonyms

F19558 | NSC404522 | NSC-404522 | Formamide, N-ethyl- | N-Ethylformamide | N-Ethyl-formamide | BRN 1737860 | N-ethyl formamide | VJF7XCH5B6 | F0188 | Ethylformamide | UNII-VJF7XCH5B6 | DTXSID6060842 | NSC 404522 | EINECS 211-001-2 | 1-[(TERT-BUTYL)OXYCARB

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

F19558 | NSC404522 | NSC-404522 | Formamide, N-ethyl- | N-Ethylformamide | N-Ethyl-formamide | BRN 1737860 | N-ethyl formamide | VJF7XCH5B6 | F0188 | Ethylformamide | UNII-VJF7XCH5B6 | DTXSID6060842 | NSC 404522 | EINECS 211-001-2 | 1-[(TERT-BUTYL)OXYCARB

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

Pubchem Sid

504752305

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752305

Canonical Smiles

CCNC=O

IUPAC Name

N-ethylformamide

InChIKey

KERBAAIBDHEFDD-UHFFFAOYSA-N

INCHI

1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)

Isomeric SMILES

CCNC=O

WGK Germany

3

RTECS

LQ2725000

Molecular Weight

73.1

Beilstein

1737860

Reaxy-Rn

1737860

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737860&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Secondary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Secondary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).
• External Descriptors: Not available

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Refractive Index: 1.43
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 202-204°C
• Molecular Weight: 73.090 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 73.0528 Da
• Monoisotopic Mass: 73.0528 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 28.100
• 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