2,2-difluoro-1-methyl-cyclopropanamine;hydrochloride - ≥97% , CAS No.128230-76-2

CAS: 128230-76-2 Cat. No.: D637539 Molecular Weight: 143.56 EC Number: 802-902-7 PubChem CID: 14695238

GRADE & PURITY ≥97%

Synonyms

OZAHEWCEHNHWGI-UHFFFAOYSA-N | SY033851 | 2,2-Difluoro-1-methylcyclopropanamine hydrochloride | DTXSID60563121 | MFCD07777162 | Z1201624184 | AKOS005258569 | SCHEMBL9577971 | 2,2-Difluoro-1-methylcyclopropylamine hydrochloride, 95% | 2,2-Difluoro-1-methylc

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

OZAHEWCEHNHWGI-UHFFFAOYSA-N | SY033851 | 2, 2-Difluoro-1-methylcyclopropanamine hydrochloride | DTXSID60563121 | MFCD07777162 | Z1201624184 | AKOS005258569 | SCHEMBL9577971 | 2, 2-Difluoro-1-methylcyclopropylamine hydrochloride, 95% | 2, 2-Difluoro-1-methylc

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1(CC1(F)F)N.Cl
• IUPAC Name: 2,2-difluoro-1-methylcyclopropan-1-amine;hydrochloride
• InChIKey: OZAHEWCEHNHWGI-UHFFFAOYSA-N
• INCHI: 1S/C4H7F2N.ClH/c1-3(7)2-4(3,5)6;/h2,7H2,1H3;1H
• Isomeric SMILES: CC1(CC1(F)F)N.Cl
• Alternate CAS: 128230-76-2
• PubChem CID: 14695238
• Molecular Weight: 143.56

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organofluorides

• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 144-145
• Molecular Weight: 143.560 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 143.031 Da
• Monoisotopic Mass: 143.031 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 102.000
• 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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