Basic information
- CAS
2478-29-7- Standard SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.O=S1(=O)N=C([O-])c2ccccc21- InChIKey
GDORIPGFFDIMOW-UHFFFAOYSA-M- Molecular formula
- C26H46N2O3S
- Average molar mass
- 466.7 g/mol
- Monoisotopic mass
- 466.32291451
Names & identifiers
- Preferred name
- 1-Hexadecanaminium, N,N,N-trimethyl-, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)
- IUPAC
- 1,1-dioxo-1,2-benzothiazol-3-olate;hexadecyl(trimethyl)azanium
- English name
- hexadecyltrimethylammonium, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)
- Molecular formula
- C26H46N2O3S
- Molecular weight
- 466.73
Names & synonyms
Cetrimonium saccharinate2478-29-7Cetyltrimethylammonium saccharinateUNII-7LB6MR38857LB6MR3885EINECS 219-608-4PIONIN B 611S1-Hexadecanaminium, N,N,N-trimethyl-, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)CETYLTRIMETHYLAMMONIUM BENZOSULFIMIDEHexadecyltrimethylammonium, salt with 1,2-benzisothiazol-3(2H)-one1,1-dioxide (1:1)1-Hexadecanaminium, N,N,N-trimethyl-, salt with 1,2-benzisothiazol-3(2H)-one, 1,1-dioxide (1:1)RefChem:75883
Show more names
1,1-dioxo-1,2-benzothiazol-3-olate,hexadecyl(trimethyl)azaniumhexadecyltrimethylammonium, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)
DTXCID701023335CETRIMONIUM SACCHARINATE [INCI]219-608-4DTXSID608838511,1-dioxo-1,2-benzothiazol-3-olate;hexadecyl(trimethyl)azaniumSCHEMBL8526166SCHEMBL29623712GDORIPGFFDIMOW-UHFFFAOYSA-M
Properties
Computed structural properties
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 495
Experimental & physicochemical properties
CosmeticsAntimicrobial; Hair conditioning; Antistatic
Physicochemical properties
- Cosmetics Ingredients Functions
- HAIR CONDITIONINGANTIMICROBIALANTISTATIC
- LogP
- 2.399 · 2.399 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 LB6MR3885 · 7LB6MR3885
- EPA Substance Registry System
- 1 · 1-Hexadecanaminium, N,N,N-trimethyl-, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1) (2478-29-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Antimicrobial; Hair conditioning; Antistatic
General Manufacturing Information1-Hexadecanaminium, N,N,N-trimethyl-, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1): INACTIVE
Suppliers3 total
北京华美互利生物化工010-56205725 · [email protected]
杭州埃肯新材料有限公司15258847994 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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