Cas no 1245808-01-8 ((1S)-1-(4-chloro-3-fluoro-phenyl)ethanamine;hydrochloride)

(1S)-1-(4-chloro-3-fluoro-phenyl)ethanamine;hydrochloride structure
1245808-01-8 structure
Product Name:(1S)-1-(4-chloro-3-fluoro-phenyl)ethanamine;hydrochloride
CAS No:1245808-01-8
MF:C8H10Cl2FN
MW:210.076103687286
MDL:MFCD12547496
CID:836497
PubChem ID:44828504
Update Time:2024-11-02

(1S)-1-(4-chloro-3-fluoro-phenyl)ethanamine;hydrochloride Chemical and Physical Properties

Names and Identifiers

    • (S)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride
    • (1S)-1-(4-Chloro-3-fluorophenyl)ethylamine hydrochloride
    • (1S)-1-(4-chloro-3-fluoro-phenyl)ethanamine hydrochloride
    • (S)-4-Chloro-3-fluoro-alpha-methylbenzylamine hydrochloride
    • (S)-1-(4-chloro-3-fluorophenyl)ethanamine HCl
    • DS-14023
    • CS-0136092
    • 1245808-01-8
    • SPEWNMFCSPYCCJ-JEDNCBNOSA-N
    • (S)-1-(4-Chloro-3-fluorophenyl)ethan-1-amine hydrochloride
    • (S)-1-(4-Chloro-3-fluorophenyl)ethanaminehydrochloride
    • (1S)-1-(4-chloro-3-fluorophenyl)ethanamine;hydrochloride
    • AKOS015890319
    • Benzenemethanamine, 4-chloro-3-fluoro-alpha-methyl-, hydrochloride (1:1), (alphaS)-
    • AKOS015844348
    • MFCD12547496
    • (1S)-1-(4-chloro-3-fluoro-phenyl)ethanamine;hydrochloride
    • (1S)-1-(4-chloro-3-fluorophenyl)ethanamine hydrochloride
    • DS-019094
    • SCHEMBL25385811
    • MDL： MFCD12547496
    • Inchi： 1S/C8H9ClFN.ClH/c1-5(11)6-2-3-7(9)8(10)4-6;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
    • InChI Key： SPEWNMFCSPYCCJ-JEDNCBNOSA-N
    • SMILES： ClC1C=CC(=CC=1F)[C@H](C)N.Cl

Computed Properties

  • Exact Mass: 209.01700
  • Monoisotopic Mass: 209.0174329g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 131
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • PSA: 26.02000
  • LogP: 4.00110

(1S)-1-(4-chloro-3-fluoro-phenyl)ethanamine;hydrochloride Pricemore >>

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