Cas no 84499-72-9 ((1S)-1-(p-tolyl)ethanamine;hydrochloride)

(1S)-1-(p-tolyl)ethanamine;hydrochloride structure
84499-72-9 structure
Product Name:(1S)-1-(p-tolyl)ethanamine;hydrochloride
CAS No:84499-72-9
MF:C9H14ClN
MW:171.667161464691
MDL:MFCD12757102
CID:1030299
PubChem ID:53484685
Update Time:2024-10-26

(1S)-1-(p-tolyl)ethanamine;hydrochloride Chemical and Physical Properties

Names and Identifiers

    • (S)-1-(p-Tolyl)ethanamine hydrochloride
    • (1S)-1-(4-methylphenyl)ethanamine,hydrochloride
    • (S)-(-)-1-(P-TOLYL)ETHYLAMINE-HCL
    • (S)-1-(p-Tolyl)ethamine hydrochloride
    • CS-0153087
    • DTXSID30704140
    • (1S)-1-(4-methylphenyl)ethan-1-amine hydrochloride
    • EN300-7700279
    • (S)-1-(P-TOLYL)ETHAN-1-AMINE HYDROCHLORIDE
    • (1S)-1-(4-Methylphenyl)ethan-1-amine--hydrogen chloride (1/1)
    • (S)-1-(p-Tolyl)ethanaminehydrochloride
    • MFCD12757102
    • Y14023
    • AKOS015923163
    • BS-17611
    • 84499-72-9
    • (s)-(-)-1-(p-tolyl)ethylamine hydrochloride
    • (1S)-1-(4-methylphenyl)ethanamine;hydrochloride
    • (S)-1-(p-Tolyl)ethanamine HCl
    • (1S)-1-(p-tolyl)ethanamine;hydrochloride
    • Benzenemethanamine, α,4-dimethyl-, hydrochloride, (S)- (ZCI)
    • Benzenemethanamine, α,4-dimethyl-, hydrochloride, (αS)- (9CI)
    • DS-019107
    • (1S)-1-(4-METHYLPHENYL)ETHANAMINE HYDROCHLORIDE
    • MDL: MFCD12757102
    • Inchi: 1S/C9H13N.ClH/c1-7-3-5-9(6-4-7)8(2)10;/h3-6,8H,10H2,1-2H3;1H/t8-;/m0./s1
    • InChI Key: QDWBCLYSNFCQGQ-QRPNPIFTSA-N
    • SMILES: [C@H](C1C=CC(C)=CC=1)(N)C.Cl

Computed Properties

  • Exact Mass: 171.0814771g/mol
  • Monoisotopic Mass: 171.0814771g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 92.9
  • 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

(1S)-1-(p-tolyl)ethanamine;hydrochloride Pricemore >>

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(1S)-1-(p-tolyl)ethanamine;hydrochloride Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Di-μ-chlorobis[(1,2,5,6-η)-1,5-cyclooctadiene]dirhodium ,  (2S)-1-[(1S)-1-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]ethyl… Solvents: Isopropanol ;  30 min, rt
1.2 Reagents: Hydrogen ;  24 h, 10 atm, 25 °C
Reference
Rhodium-catalyzed asymmetric hydrogenation of unprotected NH imines assisted by a thiourea
Zhao, Qingyang; et al, Angewandte Chemie, 2014, 53(32), 8467-8470

(1S)-1-(p-tolyl)ethanamine;hydrochloride Raw materials

(1S)-1-(p-tolyl)ethanamine;hydrochloride Preparation Products

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