Benzalkonium bromide
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Basic Info
| FADB-China ID | C0508 |
| Substance Name | Sanitizer |
| Substance Chinese Name | 消毒剂 |
| Molecular Name | Benzalkonium bromide |
| Molecular Chinese Name | 苯扎溴铵 |
| 2D Structure | |
| CAS Number | 7281-04-1 |
| PubChem CID | 23705 |
| Formula | C21H38BrN |
| IUPAC Name | Benzyl-dodecyl-dimethylazanium;bromide |
| InChI Key | KHSLHYAUZSPBIU-UHFFFAOYSA-M |
| InChI | InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1 |
| Canonical SMILES | CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-] |
| Isomeric SMILES | CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-] |
| CFM-ID 3.0 | URL Link |
| Related links | Processing |
| Addition Purposes | Sterilization |
| Molecular Synonyms |
7281-04-1
Benzyldodecyldimethylammonium bromide
Sterinol
Benzododecinium bromide
Benzyldimethyldodecylammonium bromide
Bacfor BL
Lauralkonium bromide
N-Benzyl-N,N-dimethyldodecan-1-aminium bromide
Benzalkonium bromide
Sinnoquat BL 80
|
| Data Uploader | MinQing Cai |
| Update Date | Jul 25, 2019 20:46 |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 384.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 13 |
| Complexity | 240 |
| Monoisotopic Mass | 383.21876 |
| Exact Mass | 383.21876 |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
Related Foods
| FADB-China ID | F0143 |
| Food Image |  |
| Food Name | Infant formula milk powder |
| Food Chinese Name | 婴幼儿配方乳粉 |
| Food Type | Processed food |
| References | 液相色谱-串联质谱法测定婴幼儿配方乳粉中六种消毒剂残留 |
Potential Illegal Additives
| ID | Structure | Name | Source | PubChem Link |
|---|---|---|---|---|
Miristalkonium Chloride |
FRCD |
Link |
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Benzenemethanaminium, N,N-dimethyl-N-octyl-, chloride |
HPV EPA Chemicals |
Link |
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Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride |
HPV EPA Chemicals, ToxCast & Tox21 Chemicals |
Link |
||
Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride |
FRCD |
Link |
||
Quaternary ammonium compounds, benzyl-C8-18-alkyldimethyl, chlorides |
HPV EPA Chemicals |
Link |
||
Dodecyl(ethylbenzyl)dimethylammonium |
FRCD |
Link |
||
N,N-Dimethyl-N-octadecylbenzenemethanaminium chloride |
ToxCast & Tox21 Chemicals |
Link |
||
Benzenemethanaminium, N,N-dimethyl-N-(9Z)-9-octadecen-1-yl-, chloride (1:1) |
HPV EPA Chemicals |
Link |