1-Phenylpyrrolidin-3-amine - ≥95% , CAS No.18471-41-5

CAS: 18471-41-5 Cat. No.: P587810 Molecular Weight: 162.23 EC Number: 823-506-0 PubChem CID: 11400952

GRADE & PURITY ≥95%

Synonyms

BS-13564 | DTXSID00464663 | 3-Pyrrolidinamine, 1-phenyl- | AKOS009455780 | 3-amino-1-phenylpyrrolidine | Z415647888 | W-206324 | AT27187 | SFMJIPNTKASYFH-UHFFFAOYSA-N | 3-Pyrrolidinamine,1-phenyl- | MFCD11640906 | EN300-71279 | SCHEMBL314421 | F2167-0838

Storage

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

Shipped In

Wet ice

Specifications

Synonyms

BS-13564 | DTXSID00464663 | 3-Pyrrolidinamine, 1-phenyl- | AKOS009455780 | 3-amino-1-phenylpyrrolidine | Z415647888 | W-206324 | AT27187 | SFMJIPNTKASYFH-UHFFFAOYSA-N | 3-Pyrrolidinamine, 1-phenyl- | MFCD11640906 | EN300-71279 | SCHEMBL314421 | F2167-0838

Specifications & Purity

≥95%

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504766380
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766380
• Canonical Smiles: C1CN(CC1N)C2=CC=CC=C2
• IUPAC Name: 1-phenylpyrrolidin-3-amine
• InChIKey: SFMJIPNTKASYFH-UHFFFAOYSA-N
• INCHI: 1S/C10H14N2/c11-9-6-7-12(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8,11H2
• Isomeric SMILES: C1CN(CC1N)C2=CC=CC=C2
• PubChem CID: 11400952
• Molecular Weight: 162.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Pyrroles Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylpyrrolidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Pyrrole - Tertiary amine - Azacycle - Amine - Primary amine - Organic nitrogen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 162.230 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.116 Da
• Monoisotopic Mass: 162.116 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 141.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1