Cas no 939758-17-5 (methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate)

methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate structure
939758-17-5 structure
Product Name:methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CAS No:939758-17-5
MF:C13H17NO3
MW:235.278983831406
MDL:MFCD01862548
CID:69600
PubChem ID:3303441
Update Time:2025-04-18

methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • trans-Methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
    • methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
    • DTXSID70391250
    • 939758-17-5
    • EN300-1454063
    • AKOS015851626
    • Methyl4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
    • F1911-4196
    • 4-(4-methoxyphenyl)pyrrolidine-3-methylcarboxylate
    • A844764
    • 1187933-27-2
    • Methyl(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
    • DB-079753
    • METHYL (3R,4S)-4-(4-METHOXYPHENYL)PYRROLIDINE-3-CARBOXYLATE
    • MDL: MFCD01862548
    • Inchi: 1S/C13H17NO3/c1-16-10-5-3-9(4-6-10)11-7-14-8-12(11)13(15)17-2/h3-6,11-12,14H,7-8H2,1-2H3
    • InChI Key: YZBHPTZUARKXKZ-UHFFFAOYSA-N
    • SMILES: O(C)C(C1CNCC1C1C=CC(=CC=1)OC)=O

Computed Properties

  • Exact Mass: 235.121
  • Monoisotopic Mass: 235.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 261
  • 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: 47.6A^2
  • XLogP3: 1.1

Experimental Properties

  • Density: 1.117
  • Boiling Point: 348.1 °C at 760 mmHg
  • Flash Point: 164.3 °C
  • PSA: 47.56000
  • LogP: 1.50000

methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate Pricemore >>

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