N,N-Dimethylglycine hydrochloride - ≥99% , CAS No.2491-06-7

CAS: 2491-06-7 Cat. No.: D115675 Molecular Weight: 139.58 Beilstein Registry Number: 3910578 EC Number: 219-648-2

GRADE & PURITY ≥99%

Synonyms

AKOS015892680 | N,N-Dimethylglycine hydrochloride | dimethylamino-acetic acid hydrochloride | AI3-62132 | HY-W001158 | N,N-Dimethyl glycine hydrochloride | N,N-DIMETHYLGLYCINE HYDROCHLORIDE [MI] | N,N-dimethyl glycine HCl | AC-30735 | N,N-DIMETHYLGLYCINE

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS015892680 | N, N-Dimethylglycine hydrochloride | dimethylamino-acetic acid hydrochloride | AI3-62132 | HY-W001158 | N, N-Dimethyl glycine hydrochloride | N, N-DIMETHYLGLYCINE HYDROCHLORIDE [MI] | N, N-dimethyl glycine HCl | AC-30735 | N, N-DIMETHYLGLYCINE

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Natural N-methylated glycine that is used in comparative analysis with other N-methylated glycines such as sarcosine and βine. Also used as a substrate to identify, differentiate and characterize amino acid methyltransferase(s).

Storage

Desiccated, Room temperature

Shipped In

Normal

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CN(C)CC(=O)O.Cl
• IUPAC Name: 2-(dimethylamino)acetic acid;hydrochloride
• InChIKey: FKASAVXZZLJTNX-UHFFFAOYSA-N
• INCHI: 1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H
• Isomeric SMILES: CN(C)CC(=O)O.Cl
• WGK Germany: 2
• RTECS: MB9995000
• Molecular Weight: 139.58
• Beilstein: 3910578
• Reaxy-Rn: 3910578
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3910578&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: Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Tertiary amine - Tertiary aliphatic amine - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Amine - Hydrocarbon derivative - Hydrochloride - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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

• Sensitivity: Hygroscopic.
• Melt Point(°C): 188-191°C
• Molecular Weight: 139.580 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 139.04 Da
• Monoisotopic Mass: 139.04 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.100
• 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: 2

XLogP3

References

1. Yuqi Zheng, Yang Jin, Nan Zhang, Dong Wang, Yang Yang, Meng Zhang, Guohui Wang, Shaoxiang Lee, Wenjuan Qu.  (2022)  Recovery of N, N-dimethylglycine (DMG) from dimethylglycine hydrochloride by bipolar membrane electrodialysis.  Chemical Engineering and Processing-Process Intensification,      [PMID:] [10.1016/j.cep.2022.108943]

2. Li-Juan Zhao, Hai-Yu Zhao, Xiao-Lu Wei, Fei-Fei Guo, Jun-Ying Wei, Hong-Jie Wang, Jian Yang, Zhi-Gang Yang, Nan Si, Bao-Lin Bian.  (2020)  The lipid homeostasis regulation study of arenobufagin in zebrafish HepG2 xenograft model and HepG2 cells using integrated lipidomics-proteomics approach.  JOURNAL OF ETHNOPHARMACOLOGY,      [PMID:32422359] [10.1016/j.jep.2020.112943]