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(3S)-3-phenylpyrrolidine - 97%, high purity , CAS No.62624-46-8
Discover (3S)-3-phenylpyrrolidine by Aladdin Scientific in 97% for only $3,888.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
(3S)-3-phenylpyrrolidine | 62624-46-8 | (S)-3-Phenylpyrrolidine | MFCD19216484 | (S)-3-phenyl-pyrrolidine | SCHEMBL495697 | DTXSID70362566 | PRRFFTYUBPGHLE-SNVBAGLBSA-N | AMY34424 | AKOS006348462 | AS-51387 | CS-0043303 | P12556 | EN300-2507004
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Aralkylamines Benzene and substituted derivatives Pyrroles Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyrrolidine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Pyrrole - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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
IUPAC Name
(3S)-3-phenylpyrrolidine
INCHI
InChI=1S/C10H13N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-5,10-11H,6-8H2/t10-/m1/s1
InChIKey
PRRFFTYUBPGHLE-SNVBAGLBSA-N
Smiles
C1CNCC1C2=CC=CC=C2
Isomeric SMILES
C1CNC[C@@H]1C2=CC=CC=C2
PubChem CID
1383267
Molecular Weight
147.221
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
147.220 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
147.105 Da
Monoisotopic Mass
147.105 Da
Topological Polar Surface Area
12.000 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
116.000
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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