(S)-(+)-2-Aminobutanamide hydrochloride - ≥99% , CAS No.7682-20-4

CAS: 7682-20-4 Cat. No.: A119770 Molecular Weight: 138.6 Beilstein Registry Number: 4(3)1298 EC Number: 471-490-5

GRADE & PURITY ≥99%

Synonyms

(S)-2-Aminobutanamide hydrochloride [USP-RS] | DS-1209 | SCHEMBL373444 | 1217605-54-3 | EN300-7375395 | L-Homoalanylamide hydrochloride | (S)-2-Aminobutanamide hydrochloride | BUTYRAMIDE, 2-AMINO-, MONOHYDROCHLORIDE, L- | l-homoalanylamide hcl | UNII-001L

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(S)-2-Aminobutanamide hydrochloride [USP-RS] | DS-1209 | SCHEMBL373444 | 1217605-54-3 | EN300-7375395 | L-Homoalanylamide hydrochloride | (S)-2-Aminobutanamide hydrochloride | BUTYRAMIDE, 2-AMINO-, MONOHYDROCHLORIDE, L- | l-homoalanylamide hcl | UNII-001L

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488197817
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197817
• Canonical Smiles: CCC(C(=O)N)N.Cl
• IUPAC Name: (2S)-2-aminobutanamide;hydrochloride
• InChIKey: HDBMIDJFXOYCGK-DFWYDOINSA-N
• INCHI: 1S/C4H10N2O.ClH/c1-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H2,6,7);1H/t3-;/m0./s1
• Isomeric SMILES: CC[C@@H](C(=O)N)N.Cl
• WGK Germany: 3
• Molecular Weight: 138.6
• Beilstein: 4(3)1298
• Reaxy-Rn: 3559167
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3559167&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 acid amides

• 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 acid amides
• Alternative Parents: Fatty amides Primary carboxylic acid amides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid amide - Fatty amide - Fatty acyl - Carboxamide group - Primary carboxylic acid amide - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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: Air Sensitive
• Specific Rotation[α]: 24° (C=1,H2O)
• Melt Point(°C): 259-263°C
• Molecular Weight: 138.590 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.056 Da
• Monoisotopic Mass: 138.056 Da
• Topological Polar Surface Area: 69.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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. Yunhao Zhou, Tian Wu, Lizheng Duan, Guizhen Hu, Jiahui Shi, Yamin Nie, Yanmei Zhou.  (2022)  Synthesizing carbon dots with functional preservation strategy as a facile ratiometric fluorescent sensing platform for monitoring hypochlorite in living cells and zebrafish.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2022.131946]