4-(Dimethylamino)butyric acid hydrochloride - ≥98% , CAS No.69954-66-1

CAS: 69954-66-1 Cat. No.: W133561 Molecular Weight: 167.63 EC Number: 629-379-6 PubChem CID: 12691640

GRADE & PURITY ≥98%

Synonyms

4-dimethylamino-butyric acid hydrochloride salt | NSC165617 | NSC-165617 | 4-(Dimethylamino)-butanoic acid HCl | 4-Dimethylaminobutyric Acid Hydrochloride | 4-dimethylamino-butyric acid hydrochloride | BSPBio_003463 | FT-0641262 | PD194381 | 4-(Dimethylam

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Application

4-Dimethylaminobutyric acid hydrochloride is used as pharmaceutical intermediates.

Specifications

Synonyms

4-dimethylamino-butyric acid hydrochloride salt | NSC165617 | NSC-165617 | 4-(Dimethylamino)-butanoic acid HCl | 4-Dimethylaminobutyric Acid Hydrochloride | 4-dimethylamino-butyric acid hydrochloride | BSPBio_003463 | FT-0641262 | PD194381 | 4-(Dimethylam

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767205
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767205
• Canonical Smiles: CN(C)CCCC(=O)O.Cl
• IUPAC Name: 4-(dimethylamino)butanoic acid;hydrochloride
• InChIKey: RDTALXUBMCLWBB-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO2.ClH/c1-7(2)5-3-4-6(8)9;/h3-5H2,1-2H3,(H,8,9);1H
• Isomeric SMILES: CN(C)CCCC(=O)O.Cl
• WGK Germany: 3
• PubChem CID: 12691640
• Molecular Weight: 167.63

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Amino fatty acids
• Alternative Parents: Straight chain fatty acids Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amino fatty acid - Straight chain fatty acid - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrochloride - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as amino fatty acids. These are fatty acids containing an amine group.
• 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): 153-155°C
• Molecular Weight: 167.630 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 167.071 Da
• Monoisotopic Mass: 167.071 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 91.100
• 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. Jingjing Lin, Yushui He, Mofei Yuan, Yuanyuan He, Xiao Wang, Yuan Feng, Mingtao Luo, Ting Lan, Zhen Li, Feng Luo, Jiehua Li, Yanchao Wang, Hong Tan.  (2025)  Positively Charged Polyurethane Scaffolds Reshape the Microenvironment to Promote Endogenous Regeneration after Brain Injury.  BIOMACROMOLECULES,      [PMID:40908478] [10.1021/acs.biomac.5c01116]

2. Xirui Long, Yuanyuan He, Ao Wang, Xiao Wang, Ao Zhen, Linxi Wu, Lin Yang, Feng Luo, Jiehua Li, Zhen Li, Hong Tan.  (2025)  Lysozyme Fiber-Inspired Versatile Supramolecular Hydrogel Against Drug-Resistant Pathogens and Biofilm Formation.  Advanced Healthcare Materials,      [PMID:40457631] [10.1002/adhm.202500687]