Cas no 2281-11-0 (3-(N,N-Dimethylpalmitylammonio)propanesulfonate)

3-(N,N-Dimethylpalmitylammonio)propanesulfonate structure
2281-11-0 structure
Product Name:3-(N,N-Dimethylpalmitylammonio)propanesulfonate
CAS No:2281-11-0
MF:C21H45NO3S
MW:391.65190577507
MDL:MFCD00036911
CID:42722
PubChem ID:24895773
Update Time:2025-04-18

3-(N,N-Dimethylpalmitylammonio)propanesulfonate Chemical and Physical Properties

Names and Identifiers

    • 3-(Hexadecyldimethylammonio)propane-1-sulfonate
    • 3-(Hexadecyl-dimethylazaniumyl)propane-1-sulfonate
    • 3-(Palmityldimethylammonio)propanesulfonate
    • Palmityl sulfobetaine
    • Hexadecyldimethyl(3-sulfopropyl)ammonium Hydroxide Inner Salt [for Biochemical Research]
    • 3-(N,N-Dimethylpalmitylammonio)propanesulfonate
    • 3-[hexadecyl(dimethyl)azaniumyl]propane-1-sulfonate
    • 3-(Hexadecyldimethylammonio)propanesulfonate
    • 3-(N,N-di-methyl-N-hexadecyl-ammonio)-propane-1-sulfonate
    • 3-(N-Hexadecyl-N,N-dimethylammonio)propanesulfonate
    • 3-[Dimethyl(palmityl)ammonio]propane-1-sulfonate
    • Palmi
    • Palmityldimethyl(3-sulfopropyl)ammonium Hydroxide Inner Salt
    • sulfobetaine 3-16
    • sulfobetaine-16
    • Zwittergent 3-16
    • 3-(N,N-Dimethylhexadecylammonio)propanesulfonate
    • SB3-16
    • N-hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
    • 3-[hexadecyl(dimethyl)ammonio]propane-1-sulfonate
    • NSC628322
    • AK128984
    • (n-hexadecy-n,n-
    • NS00049237
    • DS-6011
    • 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt
    • SCHEMBL62048
    • TUBRCQBRKJXJEA-UHFFFAOYSA-N
    • SB83690
    • Sulfobetaine 16
    • FT-0653481
    • CHEMBL1213509
    • A51053
    • J-014864
    • N-Palmityl sulfobetaine
    • ZWITTERGENT 3-16 Detergent
    • 2281-11-0
    • SB16
    • SY052090
    • M02489
    • A816371
    • NSC-628322
    • C21H45NO3S
    • AKOS015897497
    • UNII-HAF4AM3VBF
    • CS-0152217
    • HAF4AM3VBF
    • MFCD00036911
    • HY-W099575
    • EINECS 218-918-7
    • H1283
    • 3-Cetyldimethylammonium-1-propanesulfonate
    • DTXSID70177359
    • Hexadecyldimethyl(3-sulphonatopropyl)ammonium
    • N,N-Dimethyl-N-(3-sulfopropyl)-1-hexadecanaminium hydroxide, Inner salt
    • 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner salt
    • Hexadecyldimethyl(3-sulfopropyl)ammonium Hydroxide Inner Salt
    • 3-(Hexadecyl-Dimethyl-Ammonio)Propane-1-Sulfonate
    • hexadecyl-dimethyl-(3-sulfopropyl)ammonium
    • 3-(Hexadecyl(dimethyl)-.lambda.~5~-azanyl)-1-propanesulfonic acid
    • 3-(N,N-Dimethylpalmitylammonio)propanesulfonate,99%
    • DTXCID1099850
    • HDMAPS
    • 3-(N-hexadecyl-N,N-dimethylammonium)propane sulfonate
    • MDL: MFCD00036911
    • Inchi: 1S/C21H45NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(2,3)20-18-21-26(23,24)25/h4-21H2,1-3H3
    • InChI Key: TUBRCQBRKJXJEA-UHFFFAOYSA-N
    • SMILES: S(CCC[N+](C)(C)CCCCCCCCCCCCCCCC)(=O)(=O)[O-]

Computed Properties

  • Exact Mass: 391.31200
  • Monoisotopic Mass: 391.312015
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 18
  • Complexity: 389
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 7.2
  • Topological Polar Surface Area: 65.6

Experimental Properties

  • Color/Form: White crystalline powder
  • Melting Point: 253-255 oC
  • Boiling Point: °Cat760mmHg
  • Flash Point: Degrees Fahrenheit:230°F
    Degrees Celsius:110°C
  • PSA: 65.58000
  • LogP: 6.56020
  • Solubility: Soluble in water.
  • Conductivity: ≤10?μmho per cm at 24?°C (0.05?M aqueous solution)

3-(N,N-Dimethylpalmitylammonio)propanesulfonate Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • Hazardous Material Identification: Xi
  • Safety Term:S26;S36
  • Risk Phrases:R36/37/38
  • Storage Condition:2-8°C

3-(N,N-Dimethylpalmitylammonio)propanesulfonate Customs Data

  • HS CODE:2923900090
  • Customs Data:

    China Customs Code:

    2923900090

    Overview:

    2923900090 Other quaternary ammonium salts and quaternary ammonium bases.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2923900090 other quaternary ammonium salts and hydroxides.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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