DL-Leucinamide hydrochloride - ≥98% , CAS No.10466-60-1

CAS: 10466-60-1 Cat. No.: S165636 Molecular Weight: 166.65 EC Number: 865-234-5

GRADE & PURITY ≥98%

Synonyms

ROBENACOXIB [GREEN BOOK] | SCHEMBL1425296 | NSC-206279 | Pentanamide, monohydrochloride, (S)- | h-dl-leu-nh2hcl | A801032 | EN300-6496579 | DL-Leucinamide hydrochloride | FT-0772050 | DL-Leucine amide hydrochloride | NSC83635 | NSC-83635 | BP-10460 | H-DL

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

ROBENACOXIB [GREEN BOOK] | SCHEMBL1425296 | NSC-206279 | Pentanamide, monohydrochloride, (S)- | h-dl-leu-nh2hcl | A801032 | EN300-6496579 | DL-Leucinamide hydrochloride | FT-0772050 | DL-Leucine amide hydrochloride | NSC83635 | NSC-83635 | BP-10460 | H-DL

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767250
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767250
• Canonical Smiles: CC(C)CC(C(=O)N)N.Cl
• IUPAC Name: 2-amino-4-methylpentanamide;hydrochloride
• InChIKey: VSPSRRBIXFUMOU-UHFFFAOYSA-N
• INCHI: 1S/C6H14N2O.ClH/c1-4(2)3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H
• Isomeric SMILES: CC(C)CC(C(=O)N)N.Cl
• Molecular Weight: 166.65
• Reaxy-Rn: 6702199
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6702199&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 Leucine 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: Leucine 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: Leucine 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 leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 166.650 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.087 Da
• Monoisotopic Mass: 166.087 Da
• Topological Polar Surface Area: 69.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 101.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3