Lauroyl methyl glucamide , CAS No.87246-72-8

CAS: 87246-72-8 Cat. No.: L1247840 EC Number: 289-309-1,686-353-7 PubChem CID: 10948838

Storage

Room temperature

Shipped In

Normal

Specifications

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O
• IUPAC Name: N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
• InChIKey: OGUKJRCPWCNIQL-QFHJOOASSA-N
• INCHI: 1S/C19H39NO6/c1-3-4-5-6-7-8-9-10-11-12-17(24)20(2)13-15(22)18(25)19(26)16(23)14-21/h15-16,18-19,21-23,25-26H,3-14H2,1-2H3/t15-,16+,18+,19+/m0/s1
• Isomeric SMILES: CCCCCCCCCCCC(=O)N(C)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
• Alternate CAS: 87246-72-8,87051-15-8
• PubChem CID: 10948838

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty amides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acyl amines
• Alternative Parents: Monosaccharides Tertiary carboxylic acid amides Secondary alcohols Polyols Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monosaccharide - N-acyl-amine - Tertiary carboxylic acid amide - Carboxamide group - Secondary alcohol - Carboxylic acid derivative - Polyol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.
• 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

Chemical and Physical Properties

• Molecular Weight: 377.500 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 16
• Exact Mass: 377.278 Da
• Monoisotopic Mass: 377.278 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 355.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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