L-Valinamide hydrochloride - ≥98% , CAS No.3014-80-0

CAS: 3014-80-0 Cat. No.: V117016 Molecular Weight: 152.62 Beilstein Registry Number: 4(4)2662 EC Number: 978-066-3

GRADE & PURITY ≥98%

Synonyms

AC-145 | M03135 | AS-15976 | L-valineamide hydrochloride | (s)-2-amino-3-methylbutyramide hydrochloride | MFCD00039085 | L-(+)-valinamide hydrochloride | L-Valinamide hydrochloride, 97% | SCHEMBL3201900 | N-(Boc)-L-Tyrosine methyl ester | AKOS015844703 |

Storage

Room temperature

Shipped In

Normal

Overview

Product Application:

It is a reagent used in the synthesis of alkylpyrazines. Also used in the synthesis of elastase inhibitory activity

Specifications

Synonyms

AC-145 | M03135 | AS-15976 | L-valineamide hydrochloride | (s)-2-amino-3-methylbutyramide hydrochloride | MFCD00039085 | L-(+)-valinamide hydrochloride | L-Valinamide hydrochloride, 97% | SCHEMBL3201900 | N-(Boc)-L-Tyrosine methyl ester | AKOS015844703 |

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488198505
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198505
• Canonical Smiles: CC(C)C(C(=O)N)N.Cl
• IUPAC Name: (2S)-2-amino-3-methylbutanamide;hydrochloride
• InChIKey: XFCNYSGKNAWXFL-WCCKRBBISA-N
• INCHI: 1S/C5H12N2O.ClH/c1-3(2)4(6)5(7)8;/h3-4H,6H2,1-2H3,(H2,7,8);1H/t4-;/m0./s1
• Isomeric SMILES: CC(C)[C@@H](C(=O)N)N.Cl
• WGK Germany: 3
• Alternate CAS: 4540-60-7
• Molecular Weight: 152.62
• Beilstein: 4(4)2662
• Reaxy-Rn: 4198583

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 Valine and derivatives

• 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: Valine and derivatives
• Alternative Parents: Alpha amino acid amides Fatty amides Primary carboxylic acid amides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Valine or derivatives - 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 valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol (50 mg/ ml-clear, colorless solution).
• Specific Rotation[α]: 27 ° (C=1, H2O)
• Melt Point(°C): 266-270°C
• Molecular Weight: 152.620 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.072 Da
• Monoisotopic Mass: 152.072 Da
• Topological Polar Surface Area: 69.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 90.400
• 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

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