| CAS Number | 41830-81-3 |
| Catalog Number | AG00CJDM(AGN-PC-0WQUOA) |
| Chemical Name | Oxazine 4 perchlorate |
| IUPAC Name | N-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine;perchloric acid |
| InChI | InChI=1S/C18H21N3O.ClHO4/c1-5-19-13-9-17-15(7-11(13)3)21-16-8-12(4)14(20-6-2)10-18(16)22-17;2-1(3,4)5/h7-10,19H,5-6H2,1-4H3;(H,2,3,4,5) |
| InChI Key | YDTINNWJPMAKSP-UHFFFAOYSA-N |
| MDL Number | MFCD00042008 |
| Molecular Formula | C18H21N3O |
| Molecular Weight | 295.3788 |
| SMILES | CCNC1=C(C)C=C2N=C3C=C(C)C(C=C3OC2=C1)=NCC |
| Synonyms | Oxazine 4 perchlorate,
41830-81-3,
ACM41830813,
FT-0702052,
(E)-N,N'-(2,8-dimethyl-3H-phenoxazine-7-yl-3-ylidene)diethanamine perchlorate,
OXAZINE4PERCHLORATE,
C18H22N3O.ClO4,
C18-H22-N3-O.Cl-O4,
Phenoxazin-5-ium, 3,7-bis(ethylamino)-2,8-dimethyl-, perchlorate,
Phenoxazin-5-ium, 3,7-bis(ethylamino)-2,8-dimethyl-, perchlorate (1:1),
|
| Complexity | 673 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 395.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 395.84g/mol |
| Monoisotopic Mass | 395.125g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number