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1-(3-Fluorophenyl)cyclopropan-1-amine hydrochloride - 97%, high purity , CAS No.692737-66-9
Basic Description
Synonyms
692737-66-9 | 1-(3-fluorophenyl)cyclopropanamine hydrochloride | 1-(3-fluorophenyl)cyclopropan-1-amine hydrochloride | 1-(3-Fluorophenyl)cyclopropanamine HCl | 1-(3-FLUORO-PHENYL)-CYCLOPROPYLAMINE HYDROCHLORIDE | 1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride |
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
Aralkylamines Aryl fluorides Organopnictogen compounds Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aralkylamine - Fluorobenzene - Aryl halide - Aryl fluoride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - 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
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
INCHI
InChI=1S/C9H10FN.ClH/c10-8-3-1-2-7(6-8)9(11)4-5-9;/h1-3,6H,4-5,11H2;1H
InChIKey
LZAJSOANABVKSY-UHFFFAOYSA-N
Smiles
C1CC1(C2=CC(=CC=C2)F)N.Cl
Isomeric SMILES
C1CC1(C2=CC(=CC=C2)F)N.Cl
Molecular Weight
187.6
Reaxy-Rn
14257844
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14257844&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
187.640 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
187.056 Da
Monoisotopic Mass
187.056 Da
Topological Polar Surface Area
26.000 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
154.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
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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