Cas no 115687-29-1 (1-Benzyl-pyrrolidine-3-carboxylic Acid Amide)

1-Benzyl-pyrrolidine-3-carboxylic Acid Amide structure
115687-29-1 structure
Product Name:1-Benzyl-pyrrolidine-3-carboxylic Acid Amide
CAS No:115687-29-1
MF:C12H16N2O
MW:204.268242835999
MDL:MFCD06658994
CID:63182
PubChem ID:329771120
Update Time:2025-08-03

1-Benzyl-pyrrolidine-3-carboxylic Acid Amide Chemical and Physical Properties

Names and Identifiers

    • 1-Benzylpyrrolidine-3-carboxamide
    • 1-Benzyl-pyrrolidine-3-carboxamide
    • 1-Benzyl-pyrrolidine-3-carboxylic acid amide
    • HNAGHMKIPMKKBB-UHFFFAOYSA-N
    • AC-4766
    • 115687-29-1
    • DTXSID90590304
    • 1-Benzyl-pyrrolidine-3-carboxylic acid amide, AldrichCPR
    • SCHEMBL2450749
    • ETHYLBUTYRATE
    • AKOS015839136
    • AB25842
    • FT-0642818
    • AB2674
    • MFCD06658994
    • 3-Pyrrolidinecarboxamide, 1-(phenylmethyl)-
    • DB-041284
    • 1-Benzyl-pyrrolidine-3-carboxylic Acid Amide
    • MDL： MFCD06658994
    • Inchi： 1S/C12H16N2O/c13-12(15)11-6-7-14(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,13,15)
    • InChI Key： HNAGHMKIPMKKBB-UHFFFAOYSA-N
    • SMILES： O=C(C1CCN(CC2C=CC=CC=2)C1)N

Computed Properties

  • Exact Mass: 204.12600
  • Monoisotopic Mass: 204.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • 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 : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 46.3A^2
  • XLogP3: 0.8

Experimental Properties

  • Density: 1.157
  • Boiling Point: 376.7°Cat760mmHg
  • Flash Point: 181.6°C
  • Refractive Index: 1.587
  • PSA: 46.33000
  • LogP: 1.63200

1-Benzyl-pyrrolidine-3-carboxylic Acid Amide Security Information

  • Hazardous Material transportation number：UN 2811 6.1 / PGIII
  • Hazard Category Code： 25
  • Safety Instruction： 45
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

1-Benzyl-pyrrolidine-3-carboxylic Acid Amide 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%

1-Benzyl-pyrrolidine-3-carboxylic Acid Amide Pricemore >>

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