L-Homoleucine - ≥95% , CAS No.31872-98-7

CAS: 31872-98-7 Cat. No.: H192699 Molecular Weight: 145.20

GRADE & PURITY ≥95%

Synonyms

(2S)-2-amino-5-methylhexanoic acid | LEUCINE IMPURITY D [EP IMPURITY] | homoleucine | NSC-4073 | L-2-Amino-5-methyl hexanoic acid | UNII-EVI289Z0PY | BCP24234 | AC-4454 | DTXSID40185729 | MFCD03788077 | (S)-2-AMINO-5-METHYLHEXANOIC ACID | 5-Methyl-L-norle

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

(2S)-2-amino-5-methylhexanoic acid | LEUCINE IMPURITY D [EP IMPURITY] | homoleucine | NSC-4073 | L-2-Amino-5-methyl hexanoic acid | UNII-EVI289Z0PY | BCP24234 | AC-4454 | DTXSID40185729 | MFCD03788077 | (S)-2-AMINO-5-METHYLHEXANOIC ACID | 5-Methyl-L-norle

Specifications & Purity

≥95%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)CCC(C(=O)O)N
• IUPAC Name: (2S)-2-amino-5-methylhexanoic acid
• InChIKey: FMUMEWVNYMUECA-LURJTMIESA-N
• INCHI: 1S/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
• Isomeric SMILES: CC(C)CC[C@@H](C(=O)O)N
• Alternate CAS: 1330286-49-1；3558-32-5
• Molecular Weight: 145.20
• Reaxy-Rn: 1722014
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1722014&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 acids
              • Level8 L-alpha-amino acids

• 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 - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Medium-chain fatty acids Branched fatty acids Amino fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: L-alpha-amino acid - Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• 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 and moisture sensitive
• Molecular Weight: 145.200 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 145.11 Da
• Monoisotopic Mass: 145.11 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 112.000
• 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: 1