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3,3-Difluoro-1-methylcyclobutane-1-methamine hydrochloride , CAS No.1523606-30-5
Basic Description
Synonyms
1523606-30-5 | (3,3-difluoro-1-methylcyclobutyl)methanamine hydrochloride | 3,3-Difluoro-1-methylcyclobutane-1-methamine HCl | (3,3-difluoro-1-methylcyclobutyl)methanamine;hydrochloride | MFCD27918500 | 3,3-Difluoro-1-methylcyclobutane-1-methamine hydrochloride | SCH
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Organofluorides
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Organofluorides
Alternative Parents
Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Organofluoride - Primary aliphatic amine - Amine - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
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
(3,3-difluoro-1-methylcyclobutyl)methanamine;hydrochloride
INCHI
InChI=1S/C6H11F2N.ClH/c1-5(4-9)2-6(7,8)3-5;/h2-4,9H2,1H3;1H
InChIKey
DNADGXVTCUINMA-UHFFFAOYSA-N
Smiles
CC1(CC(C1)(F)F)CN.Cl
Isomeric SMILES
CC1(CC(C1)(F)F)CN.Cl
Molecular Weight
171.61
Reaxy-Rn
36836130
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36836130&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
171.610 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
171.063 Da
Monoisotopic Mass
171.063 Da
Topological Polar Surface Area
26.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
114.000
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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