Cas no 76784-33-3 (cis-1-Benzylpyrrolidine-3,4-diol)

cis-1-Benzylpyrrolidine-3,4-diol structure
76784-33-3 structure
Product Name:cis-1-Benzylpyrrolidine-3,4-diol
CAS No:76784-33-3
MF:C11H15NO2
MW:193.242303133011
CID:548521
PubChem ID:13320307
Update Time:2025-04-19

cis-1-Benzylpyrrolidine-3,4-diol Chemical and Physical Properties

Names and Identifiers

    • 3,4-Pyrrolidinediol,1-(phenylmethyl)-, (3R,4S)-rel-
    • (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol
    • (3R,4R)-1-BENZYLPYRROLIDINE-3,4-DIOL
    • EN300-120692
    • (3S,4R)-1-benzylpyrrolidine-3,4-diol
    • 76784-33-3
    • CS-0133663
    • 1346224-27-8
    • (3R,4S)-(-)-1-BENZYL-3,4-PYRROLIDINDIOL
    • 3,4-Pyrrolidinediol, 1-(phenylmethyl)-, (3R,4S)-rel-
    • rel-(3R,4S)-1-Benzylpyrrolidine-3,4-diol
    • QJRIUWQPJVPYSO-PHIMTYICSA-N
    • cis-1-benzylpyrrolidine-3,4-diol
    • 76783-60-3
    • 3,4-Pyrrolidinediol,1-(phenylmethyl)-,(3R,4S)-rel-
    • AKOS006284554
    • (3R,4S)-1-benzylpyrrolidine-3,4-diol
    • CHEMBL4529260
    • SCHEMBL5155562
    • cis-1-Benzylpyrrolidine-3,4-diol
    • Inchi: 1S/C11H15NO2/c13-10-7-12(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11+
    • InChI Key: QJRIUWQPJVPYSO-PHIMTYICSA-N
    • SMILES: O[C@H]1CN(CC2C=CC=CC=2)C[C@H]1O

Computed Properties

  • Exact Mass: 193.110278721g/mol
  • Monoisotopic Mass: 193.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 170
  • 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
  • XLogP3: 0.3
  • Topological Polar Surface Area: 43.7?2

Experimental Properties

  • Melting Point: 94-100?°C
  • PSA: 43.70000
  • LogP: 0.16190

cis-1-Benzylpyrrolidine-3,4-diol Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • FLUKA BRAND F CODES:10-34
  • Hazardous Material Identification: Xi

cis-1-Benzylpyrrolidine-3,4-diol Pricemore >>

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