3-Cyclohexyl-D-alanine hydrate - ≥95% , CAS No.213178-94-0

CAS: 213178-94-0 Cat. No.: C133510 Formula: C₉H₁₇NO₂·xH₂O Peso molecolare: 171.24 (as Anhydrous)

GRADE & PURITY ≥95%

Synonyms

h-D-cha-oh, AldrichCPR | DS-2120 | CYCLOHEXANEPROPANOIC ACID, .ALPHA.-AMINO-, (.ALPHA.R)- | (R)-2-amino-3-cyclohexylpropanoicacid | H-D-CHA-OH | MFCD00153485 | (R)-3-Cyclohexylalanine | CX76B5H6YN | (R)-2-amino-3-cyclohexylpropanoic acid | .BETA.-CYCLOHEX

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

h-D-cha-oh, AldrichCPR | DS-2120 | CYCLOHEXANEPROPANOIC ACID, .ALPHA.-AMINO-, (.ALPHA.R)- | (R)-2-amino-3-cyclohexylpropanoicacid | H-D-CHA-OH | MFCD00153485 | (R)-3-Cyclohexylalanine | CX76B5H6YN | (R)-2-amino-3-cyclohexylpropanoic acid | .BETA.-CYCLOHEX

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504760036

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760036

Sorrisi canonici

C1CCC(CC1)CC(C(=O)O)N

IUPAC Name

(2R)-2-amino-3-cyclohexylpropanoic acid

InChIKey

ORQXBVXKBGUSBA-MRVPVSSYSA-N

INCHI

1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m1/s1

Isomeri SMILES

C1CCC(CC1)C[C@H](C(=O)O)N.O

CAS alternativo

58717-02-5

Peso molecolare

171.24 (as Anhydrous)

Reaxy-Rn

3197315

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 D-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: D-alpha-amino acids
• Alternative Parents: Carbocyclic fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: D-alpha-amino acid - Carbocyclic fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-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

Obiettivi associati (umani)

CACNA2D1 Tclin Voltage-gated calcium channel alpha2/delta subunit 1 (266 Activities)

Discover Target: CACNA2D1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 171.240 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 171.126 Da
• Monoisotopic Mass: 171.126 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 153.000
• 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