trans-4-Cyclohexyl-L-proline - ≥97% , CAS No.103201-78-1

CAS: 103201-78-1 Cat. No.: C302106 Summenformel: C₁₁H₁₉NO₂ Molekulargewicht: 197.28 EG-Nummer: 600-406-3

QUALITÄT & REINHEIT ≥97%

Synonyms

A800690 | AKOS015840728 | EC 600-406-3 | trans-4-cyclohexylpyrrolidine-2-carboxylicacid | XRZWVSXEDRYQGC-ZJUUUORDSA-N | AC8034 | Q-102535 | DS-13893 | L-Proline, 4-cyclohexyl-, (4S)- | 4-cyclohexylpyrrolidine-2-carboxylic acid;trans-4-Cyclohexyl-L-proline

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Spezifikationen

Synonyme

A800690 | AKOS015840728 | EC 600-406-3 | trans-4-cyclohexylpyrrolidine-2-carboxylicacid | XRZWVSXEDRYQGC-ZJUUUORDSA-N | AC8034 | Q-102535 | DS-13893 | L-Proline, 4-cyclohexyl-, (4S)- | 4-cyclohexylpyrrolidine-2-carboxylic acid;trans-4-Cyclohexyl-L-proline

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528770602

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528770602

Kanonisches Lächeln

C1CCC(CC1)C2CC(NC2)C(=O)O

IUPAC Name

(2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid

InChIKey

XRZWVSXEDRYQGC-ZJUUUORDSA-N

INCHI

1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1

Isomere SMILES

C1CCC(CC1)[C@@H]2C[C@H](NC2)C(=O)O

Molekulargewicht

197.28

Reaxy-Rn

33262481

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33262481&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: L-alpha-amino acids Pyrrolidine carboxylic acids Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid - L-alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 197.270 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 197.142 Da
• Monoisotopic Mass: 197.142 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 211.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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