Cas no 204191-42-4 (3-Amino-4-ethyl-hexanoic acid)

3-Amino-4-ethyl-hexanoic acid structure
3-Amino-4-ethyl-hexanoic acid structure
Product Name:3-Amino-4-ethyl-hexanoic acid
CAS No:204191-42-4
MF:C8H17NO2
MW:159.2260825634
MDL:MFCD01863280
CID:842114
PubChem ID:2733734
Update Time:2025-04-19

3-Amino-4-ethyl-hexanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Amino-4-ethylhexanoic acid
    • 3-Amino-4-ethyl-hexanoic acid
    • aminoethylhexanoicacid
    • DB-066197
    • AKOS005071406
    • 3-AMINO-4-ETHYLHEXANOIC ACID, 98
    • 204191-42-4
    • 8T-0051
    • DTXSID90369991
    • 3-Amino-4-ethylhexanoic acid, AldrichCPR
    • MFCD01863280
    • J-511610
    • 3-Amino-4-ethylhexanoicacid
    • CS-0295927
    • EN300-1284781
    • SCHEMBL5374127
    • Hexanoic acid, 3-amino-4-ethyl-
    • MDL： MFCD01863280
    • Inchi： 1S/C8H17NO2/c1-3-6(4-2)7(9)5-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)
    • InChI Key： HOPWNSZDCHOHRY-UHFFFAOYSA-N
    • SMILES： OC(CC(C(CC)CC)N)=O

Computed Properties

  • Exact Mass: 159.12600
  • Monoisotopic Mass: 159.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 121
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -1.4
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.0500 (estimate)
  • Melting Point: 213-214°C
  • Boiling Point: 266.1°C at 760 mmHg
  • Flash Point: 114.8°C
  • Refractive Index: 1.4630 (estimate)
  • PSA: 63.32000
  • LogP: 1.92490
  • Solubility: Not available

3-Amino-4-ethyl-hexanoic acid Security Information

  • HazardClass：IRRITANT

3-Amino-4-ethyl-hexanoic acid Customs Data

  • HS CODE：2922499990
  • Customs Data：

    China Customs Code:

    2922499990

    Overview:

    2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    P.Imported animals and plants\Quarantine of animal and plant products
    Q.Outbound animals and plants\Quarantine of animal and plant products
    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

3-Amino-4-ethyl-hexanoic acid Pricemore >>

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