L-Homocitrulline - ≥98% , CAS No.1190-49-4

CAS: 1190-49-4 Cat. No.: D302535 Formula: C₇H₁₅N₃O₃ Peso molecolare: 189.21

GRADE & PURITY ≥98%

Synonyms

AMY22717 | A892674 | SCHEMBL56915 | EINECS 214-722-0 | Q18207833 | J-004062 | 2-amino-6-carbamoylamino-hexanoic acid | N-.EPSILON.-CARBAMYL-L-LYSINE | CHEBI:17443 | (2S)-2-azaniumyl-6-(carbamoylamino)hexanoate | Homocitrulline | DL-Homocitrulline | HY-W01

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AMY22717 | A892674 | SCHEMBL56915 | EINECS 214-722-0 | Q18207833 | J-004062 | 2-amino-6-carbamoylamino-hexanoic acid | N-.EPSILON.-CARBAMYL-L-LYSINE | CHEBI:17443 | (2S)-2-azaniumyl-6-(carbamoylamino)hexanoate | Homocitrulline | DL-Homocitrulline | HY-W01

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504753952

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753952

Sorrisi canonici

C(CCNC(=O)N)CC(C(=O)O)N

IUPAC Name

(2S)-2-amino-6-(carbamoylamino)hexanoic acid

InChIKey

XIGSAGMEBXLVJJ-YFKPBYRVSA-N

INCHI

1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1

Isomeri SMILES

C(CCNC(=O)N)C[C@@H](C(=O)O)N

Peso molecolare

189.21

Reaxy-Rn

1726130

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1726130&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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 Amino fatty acids Ureas 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 - Fatty acyl - Fatty acid - Carbonic acid derivative - Amino acid - Urea - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic acyclic compound
• Descrizione: 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: ureas - non-proteinogenic L-alpha-amino acid - L-lysine derivative

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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 211-212 ºC
• Peso molecolare: 189.210 g/mol
• XLogP3: -3.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 189.111 Da
• Monoisotopic Mass: 189.111 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1190-49-4, the molecular formula is C7H15N3O3, and the molecular weight is 189.21 g/mol. InChIKey XIGSAGMEBXLVJJ-YFKPBYRVSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.