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(1S,2R)-rel-2-(4-chloro-3-fluorophenyl)cyclopropan-1-amine hydrochloride - 97%, high purity , CAS No.1807938-62-0
Basic Description
Synonyms
1807938-62-0 | (1S,2R)-rel-2-(4-Chloro-3-fluorophenyl)cyclopropan-1-amine HCl | (1S,2R)-rel-2-(4-chloro-3-fluorophenyl)cyclopropan-1-amine hydrochloride | (1S,2R)-2-(4-chloro-3-fluorophenyl)cyclopropan-1-amine;hydrochloride | Cyclopropanamine, 2-(4-chloro-3-fluor
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Fluorobenzenes
Alternative Parents
Chlorobenzenes Vinyl fluorides Vinyl chlorides Fluoroalkenes Chloroalkenes Organopnictogen compounds Organofluorides Organochlorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Fluorobenzene - Chlorobenzene - Fluoroalkene - Chloroalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Vinyl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Primary aliphatic amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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
(1S,2R)-2-(4-chloro-3-fluorophenyl)cyclopropan-1-amine;hydrochloride
INCHI
InChI=1S/C9H9ClFN.ClH/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;/h1-3,6,9H,4,12H2;1H/t6-,9+;/m1./s1
InChIKey
HUBHZRKHOYLABE-VNUWRVCDSA-N
Smiles
C1C(C1N)C2=CC(=C(C=C2)Cl)F.Cl
Isomeric SMILES
C1[C@@H]([C@H]1N)C2=CC(=C(C=C2)Cl)F.Cl
PubChem CID
127263334
Molecular Weight
222.08
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
222.080 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
221.017 Da
Monoisotopic Mass
221.017 Da
Topological Polar Surface Area
26.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
176.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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
2
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