Cas no 186086-71-5 (Methyl 3-(pyrrolidin-1-yl)benzoate)

Methyl 3-(pyrrolidin-1-yl)benzoate structure
186086-71-5 structure
Product Name:Methyl 3-(pyrrolidin-1-yl)benzoate
CAS No:186086-71-5
MF:C12H15NO2
MW:205.253003358841
MDL:MFCD06740075
CID:114739
PubChem ID:7148407
Update Time:2025-04-18

Methyl 3-(pyrrolidin-1-yl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-(pyrrolidin-1-yl)benzoate
    • methyl 3-pyrrolidin-1-ylbenzoate
    • 3-(1-pyrrolidinyl)Benzoic acid methyl ester
    • Benzoicacid, 3-(1-pyrrolidinyl)-, methyl ester
    • METHYL 3-(1-PYRROLIDINYL)BENZOATE
    • 3-pyrrolidin-1-yl-benzoic acid methyl ester
    • methyl3-(pyrrolidin-1-yl)benzoate
    • MFCD06740075
    • AKOS000348826
    • CS-0179155
    • FT-0738189
    • DTXSID60428084
    • EN300-304154
    • JJJUYMBYOGDTKP-UHFFFAOYSA-N
    • AC4974
    • SY012804
    • SCHEMBL5743752
    • Z1509726286
    • 186086-71-5
    • A880688
    • DB-065554
    • MDL: MFCD06740075
    • Inchi: 1S/C12H15NO2/c1-15-12(14)10-5-4-6-11(9-10)13-7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3
    • InChI Key: JJJUYMBYOGDTKP-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC=CC(=C1)N1CCCC1)=O

Computed Properties

  • Exact Mass: 205.11000
  • Monoisotopic Mass: 205.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 224
  • 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
  • Topological Polar Surface Area: 29.5A^2
  • XLogP3: 2.4

Experimental Properties

  • PSA: 29.54000
  • LogP: 2.13840

Methyl 3-(pyrrolidin-1-yl)benzoate 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%

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