Cas no 100610-03-5 (Methyl 4-(butylcarbamoyl)benzoate)

Methyl 4-(butylcarbamoyl)benzoate structure
100610-03-5 structure
Product Name:Methyl 4-(butylcarbamoyl)benzoate
CAS No:100610-03-5
MF:C13H17NO3
MW:235.278983831406
MDL:MFCD09418666
CID:1037597
PubChem ID:17178319
Update Time:2025-04-20

Methyl 4-(butylcarbamoyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-(butylcarbamoyl)benzoate
    • BS-19049
    • 100610-03-5
    • MFCD09418666
    • Benzoic acid, 4-[(butylamino)carbonyl]-, methyl ester
    • SB76950
    • DB-360952
    • AKOS003564159
    • Methyl4-(butylcarbamoyl)benzoate
    • DTXSID10589376
    • CS-0211438
    • MDL: MFCD09418666
    • Inchi: 1S/C13H17NO3/c1-3-4-9-14-12(15)10-5-7-11(8-6-10)13(16)17-2/h5-8H,3-4,9H2,1-2H3,(H,14,15)
    • InChI Key: RTOAFYYWYCMMTQ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(C(=O)OC)=CC=1)NCCCC

Computed Properties

  • Exact Mass: 235.12091
  • Monoisotopic Mass: 235.12084340g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 257
  • 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
  • XLogP3: 2.3
  • Topological Polar Surface Area: 55.4?2

Experimental Properties

  • PSA: 55.4
  • LogP: 2.39400

Methyl 4-(butylcarbamoyl)benzoate Pricemore >>

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Methyl 4-(butylcarbamoyl)benzoate Suppliers

Amadis Chemical Company Limited
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(CAS:100610-03-5)Methyl 4-(butylcarbamoyl)benzoate
Order Number:A1097244
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 20:20
Price ($):428.0

Methyl 4-(butylcarbamoyl)benzoate Related Literature

Recommended suppliers
Amadis Chemical Company Limited
(CAS:100610-03-5)Methyl 4-(butylcarbamoyl)benzoate
A1097244
Purity:99%
Quantity:25g
Price ($):428.0
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