| CAS Number | 50704-19-3 |
| Catalog Number | AG019MD7(AGN-PC-0S8TMR) |
| Chemical Name | [3-(dimethylamino)-2-{[(dimethylamino)methylidene]amino}prop-2-en-1-ylidene]dimethylazanium perchlorate |
| IUPAC Name | [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;perchlorate |
| InChI | InChI=1S/C10H21N4.ClHO4/c1-12(2)7-10(8-13(3)4)11-9-14(5)6;2-1(3,4)5/h7-9H,1-6H3;(H,2,3,4,5)/q+1;/p-1 |
| InChI Key | LOETWRXQTHIJFD-UHFFFAOYSA-M |
| MDL Number | MFCD10686773 |
| Molecular Formula | C10H21ClN4O4 |
| Molecular Weight | 296.7511 |
| SMILES | CN(C=NC(/C=[N+](C)/C)=CN(C)C)C.[O-]Cl(=O)(=O)=O |
| Synonyms | EN300-35813,
[3-(dimethylamino)-2-{[(dimethylamino)methylidene]amino}prop-2-en-1-ylidene]dimethylazanium perchlorate,
50704-19-3,
N-(3-(dimethylamino)-2-{[(dimethylamino)methylene]amino}prop-2-enylidene)-N-methylmethanaminium perchlorate,
AC1Q22GI,
MCULE-4322257427,
NE14785,
CID10803917,
CID 10803917,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 296.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.752g/mol |
| Monoisotopic Mass | 296.125g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number