Cas no 1360363-93-4 (tert-butyl hexahydro-5-methyl-6-oxo-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate)

tert-butyl hexahydro-5-methyl-6-oxo-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate structure
1360363-93-4 structure
Product Name:tert-butyl hexahydro-5-methyl-6-oxo-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate
CAS No:1360363-93-4
MF:C13H22N2O3
MW:254.325383663177
CID:2110684
PubChem ID:101043326
Update Time:2024-03-01

tert-butyl hexahydro-5-methyl-6-oxo-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl hexahydro-5-methyl-6-oxo-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate
    • tert-Butyl 5-methyl-6-oxohexahydro-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate
    • CID 101043326
    • 5-Methyl-6-oxo-octahydro-pyrrolo[3,4-c]pyridine-2-carboxylic acid tert-butyl ester
    • 2H-Pyrrolo[3,4-c]pyridine-2-carboxylic acid, octahydro-5-methyl-6-oxo-, 1,1-dimethylethyl ester
    • tert-butyl 5-methyl-6-oxo-1,3,3a,4,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carboxylate
    • Inchi： 1S/C13H22N2O3/c1-13(2,3)18-12(17)15-7-9-5-11(16)14(4)6-10(9)8-15/h9-10H,5-8H2,1-4H3
    • InChI Key： SKDJSNXOJQYKCN-UHFFFAOYSA-N
    • SMILES： O(C(C)(C)C)C(N1CC2CC(N(C)CC2C1)=O)=O

Computed Properties

  • Exact Mass: 254.16304257g/mol
  • Monoisotopic Mass: 254.16304257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 362
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 49.8
  • XLogP3: 0.6

Experimental Properties

  • Density: 1.122±0.06 g/cm3(Predicted)
  • Boiling Point: 382.7±35.0 °C(Predicted)
  • pka: -0.48±0.20(Predicted)

tert-butyl hexahydro-5-methyl-6-oxo-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate Pricemore >>

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 1360363-93-4 98%
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tert-butyl 5-methyl-6-oxo-1,3,3a,4,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carboxylate
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tert-butyl 5-methyl-6-oxo-1,3,3a,4,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carboxylate
 1360363-93-4 95%
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PBWBD0139-500mg
tert-butyl 5-methyl-6-oxo-1,3,3a,4,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carboxylate
 1360363-93-4 95%
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tert-butyl 5-methyl-6-oxo-1,3,3a,4,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carboxylate
 1360363-93-4 95%
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tert-butyl 5-methyl-6-oxo-1,3,3a,4,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carboxylate
 1360363-93-4 95%
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PBWBD0139-100.0mg
tert-butyl 5-methyl-6-oxo-1,3,3a,4,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carboxylate
 1360363-93-4 95%
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PBWBD0139-250.0mg
tert-butyl 5-methyl-6-oxo-1,3,3a,4,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carboxylate
 1360363-93-4 95%
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NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBWBD0139-500.0mg
tert-butyl 5-methyl-6-oxo-1,3,3a,4,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carboxylate
 1360363-93-4 95%
500.0mg
 ￥3960.0000 2025-04-12

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