Cas no 1194376-30-1 (tert-butyl 3,3-bis(hydroxymethyl)pyrrolidine-1-carboxylate)

tert-butyl 3,3-bis(hydroxymethyl)pyrrolidine-1-carboxylate structure
1194376-30-1 structure
Product Name:tert-butyl 3,3-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CAS No:1194376-30-1
MF:C11H21NO4
MW:231.28874373436
MDL:MFCD11877844
CID:2137305
PubChem ID:101043403
Update Time:2023-11-19

tert-butyl 3,3-bis(hydroxymethyl)pyrrolidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl 3,3-bis(hydroxymethyl)pyrrolidine-1-carboxylate
    • CID 101043403
    • 1-Pyrrolidinecarboxylic acid, 3,3-bis(hydroxymethyl)-, 1,1-dimethylethyl ester
    • MDL: MFCD11877844
    • Inchi: 1S/C11H21NO4/c1-10(2,3)16-9(15)12-5-4-11(6-12,7-13)8-14/h13-14H,4-8H2,1-3H3
    • InChI Key: QUNLTZBPYGUCRH-UHFFFAOYSA-N
    • SMILES: OCC1(CO)CN(C(=O)OC(C)(C)C)CC1

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 255
  • Topological Polar Surface Area: 70

Experimental Properties

  • Density: 1.141±0.06 g/cm3(Predicted)
  • Boiling Point: 348.2±7.0 °C(Predicted)
  • pka: 14.63±0.10(Predicted)

tert-butyl 3,3-bis(hydroxymethyl)pyrrolidine-1-carboxylate Pricemore >>

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