N-Methyl-ε-caprolactam - ≥97% , CAS No.2556-73-2

CAS: 2556-73-2 Cat. No.: N159776 Molecular Weight: 127.19 Beilstein Registry Number: 21(2)216 EC Number: 219-874-1

GRADE & PURITY ≥97%

Synonyms

F20350 | N-Methyl-2-azacycloheptanone | CHEBI:167780 | N-Methyl-.epsilon.-caprolactam | epsilon-Caprolactam, N-methyl- | N-Methylcaprolactam, 99% | BRN 0108968 | 2H-Azepin-2-one, hexahydro-1-methyl- | DTXSID3074656 | AKOS000121246 | Hexahydro-N-methyl-2H-

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Overview

Usually used to study the inhibition mechanism of poly-[N-vinylcaprolactam] (PVCAP) and its related compounds against hydrate formation.

Specifications

Synonyms

F20350 | N-Methyl-2-azacycloheptanone | CHEBI:167780 | N-Methyl-.epsilon.-caprolactam | epsilon-Caprolactam, N-methyl- | N-Methylcaprolactam, 99% | BRN 0108968 | 2H-Azepin-2-one, hexahydro-1-methyl- | DTXSID3074656 | AKOS000121246 | Hexahydro-N-methyl-2H-

Specifications & Purity

≥97%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488182383
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182383
• Canonical Smiles: CN1CCCCCC1=O
• IUPAC Name: 1-methylazepan-2-one
• InChIKey: ZWXPDGCFMMFNRW-UHFFFAOYSA-N
• INCHI: 1S/C7H13NO/c1-8-6-4-2-3-5-7(8)9/h2-6H2,1H3
• Isomeric SMILES: CN1CCCCCC1=O
• WGK Germany: 3
• RTECS: CM4025000
• Molecular Weight: 127.19
• Beilstein: 21(2)216
• Reaxy-Rn: 108968
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108968&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Lactams
      • Subclass Caprolactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Lactams
• Subclass: Caprolactams
• Intermediate Tree Nodes: Not available
• Direct Parent: Caprolactams
• Alternative Parents: Azepanes Tertiary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Caprolactam - Azepane - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as caprolactams. These are cyclic amides of caproic acid. Caproic acid is the carboxylic acid derived from hexane with the general formula C5H11COOH.
• 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: Light Sensitive,Air Sensitive
• Refractive Index: 1.48
• Flash Point(°F): 217.4 °F
• Flash Point(°C): 103°C(lit.)
• Boil Point(°C): 120°C/25mmHg(lit.)
• Molecular Weight: 127.180 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 127.1 Da
• Monoisotopic Mass: 127.1 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 111.000
• 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

References

1. Zhenghong Yan, Zhenye Zhu, Gefeng Li, Liang Zhou, Yuhao Wang, Guanghao Mao, Xinyi He, Juntao Lin, Rongshu Zhu.  (2026)  Enhancing Cycling Stability of Lithium Metal Batteries with Nonflammable Electrolytes Using 4-Chloroanisole as a Cosolvent.  ACS Applied Energy Materials,      [PMID:] [10.1021/acsaem.5c03620]