Cas no 402960-06-9 ((1S,3aR,6aS)-Hexahydro-cyclopentacpyrrole-1,2(1H)-dicarboxylic Acid Bis(tert-butyl) Ester)

(1S,3aR,6aS)-Hexahydro-cyclopentacpyrrole-1,2(1H)-dicarboxylic Acid Bis(tert-butyl) Ester structure
402960-06-9 structure
Product Name:(1S,3aR,6aS)-Hexahydro-cyclopentacpyrrole-1,2(1H)-dicarboxylic Acid Bis(tert-butyl) Ester
CAS No:402960-06-9
MF:C17H29NO4
MW:311.416465520859
CID:324711
PubChem ID:71464298
Update Time:2025-04-19

(1S,3aR,6aS)-Hexahydro-cyclopentacpyrrole-1,2(1H)-dicarboxylic Acid Bis(tert-butyl) Ester Chemical and Physical Properties

Names and Identifiers

    • (1S,3aR,6aS)-Di-tert-butyl hexahydrocyclopenta[c]pyrrole-1,2(1H)-dicarboxylate
    • (1S,3aR,6aS)-Hexahydro-cyclopenta[c]pyrrole-1,2(1H)-dicarboxylic Acid Bis(tert-butyl) Ester
    • Cyclopenta[c]pyrrole-1,2(1H)-dicarboxylic acid, hexahydro-, 1,2-bis(1,1-dimethylethyl) ester, ...
    • Cyclopenta[c]pyrrole-1,2(1H)-dicarboxylicacid, hexahydro-, 1,2-bis(1,1-dimethylethyl) ester, (1S,3aR,6aS)-
    • ditert-butyl (3S,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate
    • NULL
    • (1S,3aR,6aS)-Di-tert-butylhexahydrocyclopenta[c]pyrrole-1,2(1H)-dicarboxylate
    • DTXSID60856065
    • (1s,3ar,6as)di-tert-butyl hexahydrocyclopenta[c]pyrrole-1,2(1h)-dicarboxylate
    • SCHEMBL15247679
    • 402960-06-9
    • AKOS016013688
    • Di-tert-butyl (1S,3aR,6aS)-hexahydrocyclopenta[c]pyrrole-1,2(1H)-dicarboxylate
    • (1S,3aR,6aS)-Hexahydro-cyclopentacpyrrole-1,2(1H)-dicarboxylic Acid Bis(tert-butyl) Ester
    • MDL: MFCD24038925
    • Inchi: 1S/C17H29NO4/c1-16(2,3)21-14(19)13-12-9-7-8-11(12)10-18(13)15(20)22-17(4,5)6/h11-13H,7-10H2,1-6H3/t11-,12-,13-/m0/s1
    • InChI Key: REJIQUVHYOYYCK-AVGNSLFASA-N
    • SMILES: O(C(C)(C)C)C([C@@H]1[C@H]2CCC[C@H]2CN1C(=O)OC(C)(C)C)=O

Computed Properties

  • Exact Mass: 311.20965841g/mol
  • Monoisotopic Mass: 311.20965841g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 6
  • Complexity: 447
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 377.0±25.0 °C at 760 mmHg
  • Flash Point: 181.8±23.2 °C
  • Solubility: Dichloromethane
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

(1S,3aR,6aS)-Hexahydro-cyclopentacpyrrole-1,2(1H)-dicarboxylic Acid Bis(tert-butyl) Ester Security Information

(1S,3aR,6aS)-Hexahydro-cyclopentacpyrrole-1,2(1H)-dicarboxylic Acid Bis(tert-butyl) Ester Pricemore >>

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