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2,2,2-Trifluoro-1-phenyl-ethylamine hydrochloride , CAS No.13652-09-0
Discover 2,2,2-Trifluoro-1-phenyl-ethylamine hydrochloride by Aladdin Scientific in for only $124.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
13652-09-0 | 2,2,2-Trifluoro-1-phenylethanamine hydrochloride | 2,2,2-Trifluoro-1-phenyl-ethylamine hydrochloride | 2,2,2-Trifluoro-1-phenylethylamine Hydrochloride | 2,2,2-trifluoro-1-phenylethan-1-amine hydrochloride | 2,2,2-TRIFLUORO-1-PHENYL-ETHYLAMINE HCL | 2,2,
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Not available
Direct Parent
Aralkylamines
Alternative Parents
Benzene and substituted derivatives Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aralkylamine - Benzenoid - Monocyclic benzene moiety - Hydrocarbon derivative - Hydrochloride - Primary amine - Organofluoride - Organohalogen compound - Primary aliphatic amine - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
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
2,2,2-trifluoro-1-phenylethanamine;hydrochloride
INCHI
InChI=1S/C8H8F3N.ClH/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h1-5,7H,12H2;1H
InChIKey
LCQGOISHUDYBOS-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C(C(F)(F)F)N.Cl
Isomeric SMILES
C1=CC=C(C=C1)C(C(F)(F)F)N.Cl
PubChem CID
12622930
Molecular Weight
211.61
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
211.610 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
211.038 Da
Monoisotopic Mass
211.038 Da
Topological Polar Surface Area
26.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
138.000
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
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