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Fenpropidin - analytical standard, high purity , CAS No.67306-00-7
Basic Description
Synonyms
Fenpropidin | 67306-00-7 | Patrol | Fenpropidine | 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine | 1-(3-(4-tert-Butylphenyl)-2-methylpropyl)piperidine | Ro 12-3049 | CHEBI:83291 | 1-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)piperidine | Piperidine, 1-(3-(4-(1,1
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanes
Alternative Parents
Aralkylamines Piperidines Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpropane - Aralkylamine - Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - 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 phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors
Pesticides
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine
INCHI
InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
InChIKey
MGNFYQILYYYUBS-UHFFFAOYSA-N
Smiles
CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2
Isomeric SMILES
CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2
RTECS
TM7292000
Molecular Weight
273.46
Beilstein
5336091
Reaxy-Rn
1245248
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1245248&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
100℃
Molecular Weight
273.500 g/mol
XLogP3
5.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
5
Exact Mass
273.246 Da
Monoisotopic Mass
273.246 Da
Topological Polar Surface Area
3.200 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
264.000
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
Citations of This Product
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1 Citations
C1608069