Cas no 4931-70-8 (n-Octyl L-2-pyrrolidone-5-carboxylate)

n-Octyl L-2-pyrrolidone-5-carboxylate structure
4931-70-8 structure
Product Name:n-Octyl L-2-pyrrolidone-5-carboxylate
CAS No:4931-70-8
MF:C13H23NO3
MW:241.326624155045
MDL:MFCD00236053
CID:85187
PubChem ID:107610
Update Time:2025-04-18

n-Octyl L-2-pyrrolidone-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • n-Octyl L-2-pyrrolidone-5-carboxylate
    • n-Octyl (S)-2-pyrrolidinone-5-carboxylate
    • n-Octyl L-pyroglutamate~L-Pyroglutamic acid n-octyl ester~(S)-2-Pyrrolidinone-5-carboxylic acid octyl ester
    • 5-Oxo-L-proline octyl ester
    • n-Octyl L-2-pyrrolidinone-5-carboxylate
    • (S)-5-Oxopyrrolidine-2-carboxylic acid octyl ester
    • 5-Carbooctyloxy-2-pyrrolidon
    • 5-Pyrrolidon-(2)-carbonsaeureoctylester
    • l-pyroglutamic acid n-octyl ester
    • n-octyl l-pyroglutamate
    • n-Octyl L-pyroglutamate~L-Pyroglutamic acid n-octyl ester~(S)-2-Pyrrolidinone-5-carboxylic acid octyl este
    • octyl 5-oxo-L-prolinate
    • octyl pyroglutamate
    • Pyroglutamic acid octyl ester
    • SCHEMBL1978841
    • 4931-70-8
    • AKOS025116981
    • EINECS 225-569-4
    • (S)-Octyl 5-oxopyrrolidine-2-carboxylate
    • DTXSID20964211
    • (S)-Octyl5-oxopyrrolidine-2-carboxylate
    • octyl (2S)-5-oxopyrrolidine-2-carboxylate
    • AS-64796
    • Octyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate
    • NS00044522
    • SXDPDVGGPOQXTM-NSHDSACASA-N
    • MDL： MFCD00236053
    • Inchi： 1S/C13H23NO3/c1-2-3-4-5-6-7-10-17-13(16)11-8-9-12(15)14-11/h11H,2-10H2,1H3,(H,14,15)/t11-/m0/s1
    • InChI Key： SXDPDVGGPOQXTM-NSHDSACASA-N
    • SMILES： O(C([C@@H]1CCC(N1)=O)=O)CCCCCCCC
    • BRN： 478315

Computed Properties

  • Exact Mass: 241.16800
  • Monoisotopic Mass: 241.168
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 9
  • Complexity: 253
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 0.3
  • Topological Polar Surface Area: 55.4

Experimental Properties

  • Color/Form: colorless liquid
  • Density: 1400.06
  • Boiling Point: 140°C 0,06mm
  • Flash Point: 140°C/0.06mm
  • Refractive Index: 1.4720
  • PSA: 55.40000
  • LogP: 2.49750
  • Solubility: Uncertain
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

n-Octyl L-2-pyrrolidone-5-carboxylate Security Information

n-Octyl L-2-pyrrolidone-5-carboxylate Customs Data

  • HS CODE：2933790090
  • Customs Data：

    China Customs Code:

    2933790090

    Overview:

    2933790090 Other lactams. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:9.0% 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:

    2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

n-Octyl L-2-pyrrolidone-5-carboxylate Pricemore >>

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