3-(Dimethylamino)propionic Acid Hydrochloride - ≥98%(T) , CAS No.14788-12-6

CAS: 14788-12-6 Cat. No.: D132248 Molecular Weight: 153.61 EC Number: 679-966-6

GRADE & PURITY ≥98%(T)

Synonyms

A846482 | dimethyl-beta-alanine hydrochloride | 3-(DIMETHYLAMINO)PROPANOIC ACID HCL | 3-dimethylaminopropionic acid hydrochloride | D2690 | 3-(dimethyleamino) propionic acid hydrochloride | SB40854 | DTXSID10468970 | beta-Alanine, N,N-dimethyl-, hydrochlo

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

A846482 | dimethyl-beta-alanine hydrochloride | 3-(DIMETHYLAMINO)PROPANOIC ACID HCL | 3-dimethylaminopropionic acid hydrochloride | D2690 | 3-(dimethyleamino) propionic acid hydrochloride | SB40854 | DTXSID10468970 | beta-Alanine, N, N-dimethyl-, hydrochlo

Specifications & Purity

≥98%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Canonical Smiles: CN(C)CCC(=O)O.Cl
• IUPAC Name: 3-(dimethylamino)propanoic acid;hydrochloride
• InChIKey: JTNKXYWGZCNBCH-UHFFFAOYSA-N
• INCHI: 1S/C5H11NO2.ClH/c1-6(2)4-3-5(7)8;/h3-4H2,1-2H3,(H,7,8);1H
• Isomeric SMILES: CN(C)CCC(=O)O.Cl
• WGK Germany: 3
• Molecular Weight: 153.61
• Reaxy-Rn: 3684065
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3684065&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amino acid - Tertiary aliphatic amine - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
• 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

• Solubility: Soluble in water
• Sensitivity: Air & Moisture sensitive
• Melt Point(°C): 189 °C
• Molecular Weight: 153.610 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 153.056 Da
• Monoisotopic Mass: 153.056 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 80.500
• 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

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