Cas no 51458-28-7 (1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, (1R,2R)-)

1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, (1R,2R)- structure
51458-28-7 structure
Product Name:1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, (1R,2R)-
CAS No:51458-28-7
MF:C10H15NO4S
MW:245.2954018116
CID:376473
PubChem ID:6452441
Update Time:2025-04-19

1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, (1R,2R)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, (1R,2R)-
    • (1R,2R)-2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol
    • THIAMPHENICOL AMINE
    • (R(R*,R*))-2-Amino-1-(p-(methylsulphonyl)phenyl)propane-1,3-diol
    • EINECS 257-216-5
    • T1GN4OW4F4
    • D-(+)-Threo-[1-(p-methylsultonyl)phenyl]-2-amino-1,3-propanediol
    • AMINODIOL
    • D-(-)-THREO-2-AMINO-1-(4-METHYLSULFONYL)PHENYL)-1,3-PROPANEDIOL
    • 9CU232E6W2
    • UNII-T1GN4OW4F4
    • 2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol, threo-
    • SCHEMBL2181086
    • CIAZEFCFQFQJLB-NXEZZACHSA-N
    • (R(R*,R*)-2-AMINO-1-(P-(METHYLSULPHONYL)PHENYL)PROPANE-1,3-DIOL
    • (1R,2R)-2-amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol
    • (1R,2R)-2-amino-1-[4-(methylsulfonyl)phenyl]-1,3-propanediol
    • DTXSID10199434
    • 119293-91-3
    • 51458-28-7
    • NS00032278
    • 2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol, (1R,2R)-
    • UNII-9CU232E6W2
    • 1,3-PROPANEDIOL, 2-AMINO-1-(4-(METHYLSULFONYL)PHENYL)-, (1R,2R)-
    • [R(R*,R*]-2-amino-1-[p-(methylsulphonyl)phenyl]propane-1,3-diol
    • (1R,2R)-2-amino-1-[4-(methylsulfonyl)phenyl]-1,3-propandiol
    • Inchi： 1S/C10H15NO4S/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(11)6-12/h2-5,9-10,12-13H,6,11H2,1H3/t9-,10-/m1/s1
    • InChI Key： CIAZEFCFQFQJLB-NXEZZACHSA-N
    • SMILES： S(C)(C1C=CC(=CC=1)[C@H]([C@@H](CO)N)O)(=O)=O

Computed Properties

  • Exact Mass: 245.07200
  • Monoisotopic Mass: 245.072179
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 303
  • 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
  • Topological Polar Surface Area: 109
  • XLogP3: -1.2

Experimental Properties

  • Density: 1.36
  • Boiling Point: 533.8°Cat760mmHg
  • Flash Point: 276.6°C
  • Refractive Index: 1.588
  • PSA: 109.00000
  • LogP: 1.22420

1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, (1R,2R)- Customs Data

  • HS CODE：2922199090
  • Customs Data：

    China Customs Code:

    2922199090

    Overview:

    2922199090. Other amino alcohols and their ethers,Esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Summary:

    2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, (1R,2R)- Related Literature

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