(S)-(+)-α-Aminocyclohexanepropionic acid hydrate - technical grade , CAS No.307310-72-1

CAS: 307310-72-1 Cat. No.: S476883 Formula: C₉H₁₇NO₂·xH₂O Peso molecolare: 171.24 Numero EC: 622-600-7

GRADE & PURITY Technical grade

Synonyms

(S)-(+)-alpha-Aminocyclohexanepropionic acid hydrate, technical grade | 3-Cyclohexyl-L-alanine hydrate | (S)-(+)-alpha-Aminocyclohexanepropionic acid hydrate | Cyclohexanepropanoic acid, alpha-amino-, hydrate (1:1), (alphaS)- | (S)-2-Amino-3-cyclohexylpro

Storage

Room temperature

Specifications

Sinonimi

(S)-(+)-alpha-Aminocyclohexanepropionic acid hydrate, technical grade | 3-Cyclohexyl-L-alanine hydrate | (S)-(+)-alpha-Aminocyclohexanepropionic acid hydrate | Cyclohexanepropanoic acid, alpha-amino-, hydrate (1:1), (alphaS)- | (S)-2-Amino-3-cyclohexylpro

Specifiche e purezza

technical grade

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Grado tecnico

Nomi e identificatori

• Sorrisi canonici: C1CCC(CC1)CC(C(=O)O)N.O
• IUPAC Name: (2S)-2-amino-3-cyclohexylpropanoic acid;hydrate
• InChIKey: HDJQIWAIDCEDEF-QRPNPIFTSA-N
• INCHI: 1S/C9H17NO2.H2O/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h7-8H,1-6,10H2,(H,11,12);1H2/t8-;/m0./s1
• Isomeri SMILES: C1CCC(CC1)C[C@@H](C(=O)O)N.O
• WGK Germania: 3
• Peso molecolare: 171.24
• Reaxy-Rn: 45488729
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45488729&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: 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: L-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 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

Proprietà chimiche e fisiche

• Rotazione specifica [α]: [α]21/D +12.0°, c = 1 in 1 M NaOH
• Punto di fusione (°C): 234-237 °C
• Peso molecolare: 189.250 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 189.136 Da
• Monoisotopic Mass: 189.136 Da
• Topological Polar Surface Area: 64.300 Ų
• Heavy Atom Count: 13
• 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: 2

XLogP3

Domande frequenti

What does technical grade mean?

technical grade indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 307310-72-1, the molecular formula is C9H17NO2·xH2O, and the molecular weight is 171.24 g/mol. InChIKey HDJQIWAIDCEDEF-QRPNPIFTSA-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.