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

CAS: 2556-73-2 Cat. No.: N159776 Formula: C₇H₁₃NO 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2556-73-2, the molecular formula is C7H13NO, and the molecular weight is 127.19 g/mol. InChIKey ZWXPDGCFMMFNRW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.