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L-Prolinanilide - >98.0%(GC), high purity , CAS No.64030-43-9
Basic Description
Synonyms
L-Prolinanilide | P2430 | F20858 | SCHEMBL2392383 | (S)-N-Phenylpyrrolidine-2-carboxamide | (2S)-N-phenylpyrrolidine-2-carboxamide | DTXSID90424913 | AKOS010392507 | MFCD08276245 | (S)-N-Phenyl-2-pyrrolidinecarboxamide | (s)-(+)-2-phenylaminocarbonylpyrro
Specifications & Purity
≥98%(GC)
Shipped In
Normal
Taxonomic Classification
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
Direct Parent
Proline and derivatives
Alternative Parents
Alpha amino acid amides Anilides Pyrrolidinecarboxamides N-arylamides Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Proline or derivatives - Alpha-amino acid amide - Anilide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - N-arylamide - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Carboxamide group - Secondary carboxylic acid amide - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
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.
Names and Identifiers
Pubchem Sid
488195848
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488195848
IUPAC Name
(2S)-N-phenylpyrrolidine-2-carboxamide
INCHI
InChI=1S/C11H14N2O/c14-11(10-7-4-8-12-10)13-9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2,(H,13,14)/t10-/m0/s1
InChIKey
NRXYBKZDRCXDOD-JTQLQIEISA-N
Smiles
C1CC(NC1)C(=O)NC2=CC=CC=C2
Isomeric SMILES
C1C[C@H](NC1)C(=O)NC2=CC=CC=C2
PubChem CID
6552381
Molecular Weight
190.25
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Specific Rotation[α]
-67° (C=1,EtOH)
Melt Point(°C)
78 °C
Molecular Weight
190.240 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
190.111 Da
Monoisotopic Mass
190.111 Da
Topological Polar Surface Area
41.100 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
199.000
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
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K1708097