| CAS Number | 1076196-38-7 |
| Catalog Number | AG0097F0(AGN-PC-0WANIA) |
| Chemical Name | 2-(4-Aminophenoxy)-N,N,N-trimethylethanaminium bromide hydrobromide |
| IUPAC Name | 2-(4-aminophenoxy)ethyl-trimethylazanium;bromide;hydrobromide |
| InChI | InChI=1S/C11H19N2O.2BrH/c1-13(2,3)8-9-14-11-6-4-10(12)5-7-11;;/h4-7H,8-9,12H2,1-3H3;2*1H/q+1;;/p-1 |
| InChI Key | ZXNWYQOYBCUWKU-UHFFFAOYSA-M |
| MDL Number | MFCD22580414 |
| Molecular Formula | C11H20Br2N2O |
| Molecular Weight | 356.0973 |
| SMILES | NC1=CC=C(OCC[N+](C)(C)C)C=C1.[H]Br.[Br-] |
| Synonyms | 2-(4-Aminophenoxy)-N,N,N-trimethylethanaminium bromide hydrobromide,
1076196-38-7,
AK166950,
KS-00000SU7,
MFCD22580414,
AKOS025290443,
DS-9197,
4-[2-(Trimethylammonio)ethoxy]anilinium dibromide,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 355.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.102g/mol |
| Monoisotopic Mass | 353.994g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number