3-(Diethylamino)propionic acid hydrochloride - ≥99% , CAS No.15674-67-6

CAS: 15674-67-6 Cat. No.: D167585 Molecular Weight: 181.66 EC Number: 239-751-6

GRADE & PURITY ≥99%

Synonyms

3-(diethylamino)propanoic acid;hydrochloride | beta-Alanine, N,N-diethyl-, hydrochloride (1:1) | D1713 | AS-10553 | DTXSID70166122 | N,N-Diethyl-beta-alanine hydrochloride | 3-(Diethylamino)propionic acid, HCl | EINECS 239-751-6 | 3-(Diethylamino)propanoi

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

3-(diethylamino)propanoic acid;hydrochloride | beta-Alanine, N, N-diethyl-, hydrochloride (1:1) | D1713 | AS-10553 | DTXSID70166122 | N, N-Diethyl-beta-alanine hydrochloride | 3-(Diethylamino)propionic acid, HCl | EINECS 239-751-6 | 3-(Diethylamino)propanoi

Specifications & Purity

≥99%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488194269
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194269
• Canonical Smiles: CCN(CC)CCC(=O)O.Cl
• IUPAC Name: 3-(diethylamino)propanoic acid;hydrochloride
• InChIKey: QQVHFNAGPZTCBE-UHFFFAOYSA-N
• INCHI: 1S/C7H15NO2.ClH/c1-3-8(4-2)6-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H
• Isomeric SMILES: CCN(CC)CCC(=O)O.Cl
• WGK Germany: 3
• Molecular Weight: 181.66
• Reaxy-Rn: 3685746
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3685746&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

• Sensitivity: Hygroscopic
• Melt Point(°C): 146 °C
• Molecular Weight: 181.660 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 181.087 Da
• Monoisotopic Mass: 181.087 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 99.800
• 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. Yuqing Tong, Meng Gu, Xingyu Luo, Haifeng Qi, Wei Jiang, Yu Deng, Lulu Wei, Jun Liu, Yin Ding, Jianfeng Cai, Yong Hu.  (2023)  An engineered nanoplatform cascade to relieve extracellular acidity and enhance resistance-free chemotherapy.  JOURNAL OF CONTROLLED RELEASE,      [PMID:37797888] [10.1016/j.jconrel.2023.10.005]