Cas no 42151-56-4 (Benzenemethanol, a-[(1R)-1-(dimethylamino)ethyl]-,(aS)-)

Benzenemethanol, a-[(1R)-1-(dimethylamino)ethyl]-,(aS)- structure
42151-56-4 structure
Product Name:Benzenemethanol, a-[(1R)-1-(dimethylamino)ethyl]-,(aS)-
CAS No:42151-56-4
MF:C11H17NO
MW:179.258783102036
CID:332801
PubChem ID:102023
Update Time:2025-04-19

Benzenemethanol, a-[(1R)-1-(dimethylamino)ethyl]-,(aS)- Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol, a-[(1R)-1-(dimethylamino)ethyl]-,(aS)-
    • (1S,2R)-(+)-N-Methylephedrine
    • Benzenemethanol, α-[1-(dimethylamino)ethyl]-, [S-(R*,S*)]-
    • L-(+)-erythro-N-methylephedrine
    • S,R-(+)-N-Methylephedrine
    • Methylephedrine
    • (1S,2R)-(+)-N-Methylephedrine, 99%
    • Methylephedrine, D-
    • R,S-(-)-N-methylephedrine
    • N-Methylephedrine D-form [MI]
    • Q27291941
    • D-N-Methylephedrine
    • (1S,2R)-N-Methylephedrine
    • VP306Z33KI
    • (+)-Methylephedrine
    • FMCGSUUBYTWNDP-MWLCHTKSSA-N
    • UNII-VP306Z33KI
    • 1201-56-5
    • AKOS025405530
    • BENZENEMETHANOL, .ALPHA.-((1R)-1-(DIMETHYLAMINO)ETHYL)-, (.ALPHA.S)-
    • 42151-56-4
    • (+)-N-Methylephedrine
    • Benzenemethanol, alpha-((1R)-1-(dimethylamino)ethyl)-, (alphaS)-
    • N-METHYLEPHEDRINE, D-
    • (1S,2R)-2-Dimethylamino-1-phenylpropanol
    • (1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol
    • J-500060
    • Methylephedrine, (+)-
    • DTXSID20962313
    • SCHEMBL2712293
    • DTXSID701021165
    • Inchi： 1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11-/m1/s1
    • InChI Key： FMCGSUUBYTWNDP-MWLCHTKSSA-N
    • SMILES： O[C@@H](C1C=CC=CC=1)[C@@H](C)N(C)C

Computed Properties

  • Exact Mass: 179.13111
  • Monoisotopic Mass: 179.131014166g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 141
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 1
  • XLogP3: 1.7
  • Topological Polar Surface Area: 24.

Experimental Properties

  • Color/Form: Not available
  • Density: 1.0020 (rough estimate)
  • Melting Point: 87-90?°C(lit.)
  • Boiling Point: 311.8°C (rough estimate)
  • Refractive Index: 1.5320 (estimate)
  • PSA: 23.47
  • Solubility: Not available

Benzenemethanol, a-[(1R)-1-(dimethylamino)ethyl]-,(aS)- Security Information

  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： 26-36
  • FLUKA BRAND F CODES：3
  • Hazardous Material Identification： Xi
  • Risk Phrases：R36/37/38

Benzenemethanol, a-[(1R)-1-(dimethylamino)ethyl]-,(aS)- Related Literature

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