Prolintane Hydrochloride , CAS No.1211-28-5

CAS: 1211-28-5 Cat. No.: P1029492 EG-Nummer: 214-917-0 PubChem CID: 14591

Storage

Room temperature

Spezifikationen

Storage

Room temperature

Namen und Kennungen

Kanonisches Lächeln

CCCC(CC1=CC=CC=C1)N2CCCC2.Cl

IUPAC Name

1-(1-phenylpentan-2-yl)pyrrolidine;hydrochloride

InChIKey

FKOFBBOQSMUYHD-UHFFFAOYSA-N

INCHI

1S/C15H23N.ClH/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14;/h3-5,9-10,15H,2,6-8,11-13H2,1H3;1H

Isomere SMILES

CCCC(CC1=CC=CC=C1)N2CCCC2.Cl

Alternative CAS-Nummer

1211-28-5,493-92-5 (Parent)

PubChem CID

14591

NSC-Nummer

169914

MeSH-Eintrag

1-(alpha-propylphenethyl)pyrrolidine;Katovit;phenylpyrrolidinylpentan;prolintane;prolintane hydrochloride;Promotil

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Aralkylamines N-alkylpyrrolidines Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Amphetamine or derivatives - Aralkylamine - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 253.810 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 253.16 Da
• Monoisotopic Mass: 253.16 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 178.000
• 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: 2

XLogP3