Cas no 955-40-8 ((S)-Ethyl 1-benzylpyrrolidine-2-carboxylate)

(S)-Ethyl 1-benzylpyrrolidine-2-carboxylate structure
955-40-8 structure
Product Name:(S)-Ethyl 1-benzylpyrrolidine-2-carboxylate
CAS No:955-40-8
MF:C14H19NO2
MW:233.30616402626
MDL:MFCD00075531
CID:796957
PubChem ID:24862817
Update Time:2025-07-27

(S)-Ethyl 1-benzylpyrrolidine-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • (S)-Ethyl 1-benzylpyrrolidine-2-carboxylate
    • L-Proline,1-(phenylmethyl)-, ethyl ester
    • N-BENZYL-L-PROLINE ETHYL ESTER
    • (S)-1-benzyl-2-carboxyethyl-pyrrolidine
    • (S)-N-benzylproline ethyl ester
    • ethyl (S)-N-benzyl pyrrolidine-2-carboxylate
    • ethyl (S)-N-benzylprolinate
    • N-benzyl-(S)-proline ethyl ester
    • Ethyl 1-(phenylmethyl)-L-prolinate
    • N-Benzyl-L-proline ethyl ester, 97%
    • MFCD00075531
    • CS-0159375
    • EN300-731653
    • ethyl benzyl-L-prolinate
    • DTXSID40350814
    • AKOS016843123
    • FLASAKCDOWUBQX-ZDUSSCGKSA-N
    • LS-11347
    • 955-40-8
    • ethyl (2S)-1-benzylpyrrolidine-2-carboxylate
    • SCHEMBL1188654
    • Ethyl 1-benzyl-L-prolinate
    • ethyl 1-benzylprolinate
    • N-benzyl-proline ethyl ester
    • AT38558
    • MDL: MFCD00075531
    • Inchi: 1S/C14H19NO2/c1-2-17-14(16)13-9-6-10-15(13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-/m0/s1
    • InChI Key: FLASAKCDOWUBQX-ZDUSSCGKSA-N
    • SMILES: O(CC)C([C@@H]1CCCN1CC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 233.14200
  • Monoisotopic Mass: 233.141578849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 249
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.6
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.048?g/mL?at 25?°C(lit.)
  • Boiling Point: 308.9±35.0 °C at 760 mmHg
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: n20/D 1.511(lit.)
  • PSA: 29.54000
  • LogP: 2.15200
  • Vapor Pressure: 0.15 mmHg ( 100 °C)
  • Optical Activity: [α]20/D ?62°, neat
  • Solubility: Not determined

(S)-Ethyl 1-benzylpyrrolidine-2-carboxylate Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:UN 1760
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26
  • FLUKA BRAND F CODES:3-10-34
  • Hazardous Material Identification: Xi
  • HazardClass:8
  • PackingGroup:III
  • Storage Condition:2-8°C
  • Packing Group:III
  • Risk Phrases:R36/37/38

(S)-Ethyl 1-benzylpyrrolidine-2-carboxylate 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%

(S)-Ethyl 1-benzylpyrrolidine-2-carboxylate Pricemore >>

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