(Lauryldimethylammonio)acetate - 25%-29% , CAS No.683-10-3

CAS: 683-10-3 Cat. No.: L196320 Formula: C₁₆H₃₃NO₂ Molecular Weight: 271.44 EC Number: 211-669-5

GRADE & PURITY 25%-29%

Synonyms

2-[dodecyl(dimethyl)azaniumyl]acetate | Rewoteric AM-DML | (Dodecyldimethylammonio)acetate | Betaine lauryldimethylaminoacetate | SCHEMBL594518 | Ammonium, (carboxymethyl)dodecyldimethyl-, hydroxide, inner salt | DTXSID6041266 | 1-Dodecanaminium, N-(carbo

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-[dodecyl(dimethyl)azaniumyl]acetate | Rewoteric AM-DML | (Dodecyldimethylammonio)acetate | Betaine lauryldimethylaminoacetate | SCHEMBL594518 | Ammonium, (carboxymethyl)dodecyldimethyl-, hydroxide, inner salt | DTXSID6041266 | 1-Dodecanaminium, N-(carbo

Specifications & Purity

25%-29%

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

Pubchem Sid

488194803

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194803

Canonical Smiles

CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]

IUPAC Name

2-[dodecyl(dimethyl)azaniumyl]acetate

InChIKey

DVEKCXOJTLDBFE-UHFFFAOYSA-N

INCHI

1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19/h4-15H2,1-3H3

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]

Molecular Weight

271.44

Reaxy-Rn

3670807

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3670807&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Tetraalkylammonium salts Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Organic nitrogen compound - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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: 271.440 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 271.251 Da
• Monoisotopic Mass: 271.251 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 221.000
• 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