Cas no 172739-04-7 (cis-5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole)

cis-5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole structure
172739-04-7 structure
Product Name:cis-5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CAS No:172739-04-7
MF:C13H18N2
MW:202.295423030853
MDL:MFCD04116222
CID:137242
PubChem ID:1514450
Update Time:2025-04-19

cis-5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole Chemical and Physical Properties

Names and Identifiers

    • Pyrrolo[3,4-c]pyrrole,octahydro-2-(phenylmethyl)-, (3aR,6aS)-rel-
    • (3AR,6aS)-2-benzyloctahydropyrrolo[3,4-c]pyrrole
    • cis-2-Benzyloctahydropyrrolo[3,4-c]pyrrole
    • 2-benzyloctahydro-pyrrolo[3,4-c]pyrrole
    • cis-2-Benzylhexahydropyrrolo[3,4-c]pyrrole
    • cis-2-Benzyloctahydropyrrolo3,4-cpyrrole
    • cis-3-benzyl-3,7-diazabicyclo[3.3.0]octane
    • CIS-2-BENZYLOCTAHYDROPYRROLO(3,4-C)PYRROLE
    • cis-2-benzyl-octahydropyrrolo[3,4-c]pyrrole
    • (3aR,6aS)-2-benzyl-octahydropyrrolo[3,4-c]pyrrole
    • Pyrrolo[3,4-c]pyrrole, octahydro-2-(phenylmethyl)-, (3aR,6aS)-rel-
    • PubChem11407
    • AOBSJQWEYXEPBK-BETUJISGSA-N
    • RW2989
    • 6565AJ
    • RP25953
    • CB
    • cis-5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
    • CS-W001864
    • 172139-04-7
    • AKOS015914852
    • EN300-191226
    • (3aR,6aS)-2-benzyl-octahydropyrrolo[3,4-c]pyrrole;cis-2-Benzylhexahydropyrrolo[3,4-c]pyrrole
    • SCHEMBL653224
    • CS-11027
    • A3804
    • 172739-04-7
    • DTXSID501182224
    • AMY25021
    • MFCD04116222
    • 3-Benzyl-cis-3,7-diazabicyclo[3.3.0]octane
    • (aR)-a-Methyl-1-Cyclopentene-1-methanol
    • (3aS,6aR)-5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
    • cis-2-Benzyl-octahydro-pyrrolo[3.4-c]pyrrole
    • 5-AMINO-3-METHYL-ISOTHIAZOLE-4-CARBOXYLICACID
    • cis-2-Benzylhexahydropyrrolo[3 pound not4-c]pyrrole
    • Z1945707661
    • 2-[(4-CHLORO-PHENYL)-HYDROXY-METHYL]-ACRYLICACIDMETHYLESTER
    • rel-(3aR,6aS)-Octahydro-2-(phenylmethyl)pyrrolo[3,4-c]pyrrole
    • DB-028880
    • (3AR,6AS)-2-BENZYL-HEXAHYDRO-1H-PYRROLO[3,4-C]PYRROLE
    • MDL： MFCD04116222
    • Inchi： 1S/C13H18N2/c1-2-4-11(5-3-1)8-15-9-12-6-14-7-13(12)10-15/h1-5,12-14H,6-10H2/t12-,13+
    • InChI Key： AOBSJQWEYXEPBK-BETUJISGSA-N
    • SMILES： N1(CC2C=CC=CC=2)C[C@H]2CNC[C@H]2C1

Computed Properties

  • Exact Mass: 202.14700
  • Monoisotopic Mass: 202.147
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 199
  • 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: 15.3
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.074
  • Melting Point: 299.6 °C at 760 mmHg
  • Boiling Point: 124 °C
  • Flash Point: 124℃
  • Refractive Index: 1.57
  • PSA: 15.27000
  • LogP: 1.60450

cis-5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

cis-5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole Pricemore >>

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cis-5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole Production Method

cis-5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole Related Literature

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