Cas no 776330-51-9 (3-tert-Butoxycarbonylamino-4-ethyl-hexanoic acid)

3-tert-Butoxycarbonylamino-4-ethyl-hexanoic acid structure
776330-51-9 structure
Product Name:3-tert-Butoxycarbonylamino-4-ethyl-hexanoic acid
CAS No:776330-51-9
MF:C13H25NO4
MW:259.341904401779
MDL:MFCD05863634
CID:842120
PubChem ID:17039382
Update Time:2025-04-19

3-tert-Butoxycarbonylamino-4-ethyl-hexanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-tert-Butoxycarbonylamino-4-ethyl-hexanoic acid
    • 3-tert-butoxycarbonylamino-4-benzoylpyridine
    • tert-butyl 4-benzoyl-3-pyridinylcarbamate
    • MFCD05863634
    • AB22650
    • EN300-1286528
    • 4-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
    • SCHEMBL6690527
    • AKOS013462704
    • 3-((tert-Butoxycarbonyl)amino)-4-ethylhexanoic acid
    • 776330-51-9
    • CS-0295936
    • 3-{[(tert-butoxy)carbonyl]amino}-4-ethylhexanoic acid
    • DTXSID10703772
    • DB-204786
    • 3-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-ethylhexanoic acid
    • MDL: MFCD05863634
    • Inchi: 1S/C13H25NO4/c1-6-9(7-2)10(8-11(15)16)14-12(17)18-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,17)(H,15,16)
    • InChI Key: XECWTCWVMZJZRC-UHFFFAOYSA-N
    • SMILES: O(C(NC(CC(=O)O)C(CC)CC)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 259.17800
  • Monoisotopic Mass: 259.17835828g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 8
  • Complexity: 279
  • 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
  • XLogP3: 2.5
  • Topological Polar Surface Area: 75.6?2

Experimental Properties

  • PSA: 75.63000
  • LogP: 3.18150

3-tert-Butoxycarbonylamino-4-ethyl-hexanoic acid Security Information

  • Hazard Category Code: 43
  • Safety Instruction: 36/37

3-tert-Butoxycarbonylamino-4-ethyl-hexanoic acid Customs Data

  • HS CODE:2924199090
  • Customs Data:

    China Customs Code:

    2924199090

    Overview:

    2924199090. Other acyclic amides(Including acyclic carbamates)(Including its derivatives and salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-tert-Butoxycarbonylamino-4-ethyl-hexanoic acid Pricemore >>

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