| CAS Number | 944356-53-0 |
| Catalog Number | AG01C5RT(AGN-PC-0WOEP0) |
| Chemical Name | 6,8-DIMETHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE |
| IUPAC Name | 6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine |
| InChI | InChI=1S/C10H13NO/c1-7-5-8(2)10-9(6-7)11-3-4-12-10/h5-6,11H,3-4H2,1-2H3 |
| InChI Key | HOZBUSLWBZQCSC-UHFFFAOYSA-N |
| MDL Number | MFCD19374518 |
| Molecular Formula | C10H13NO |
| Molecular Weight | 163.2163 |
| SMILES | CC1=C(OCCN2)C2=CC(C)=C1 |
| Synonyms | 6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine,
944356-53-0,
SCHEMBL4967534,
HOZBUSLWBZQCSC-UHFFFAOYSA-N,
ZINC62498513,
AKOS017514769,
6,8-dimethyl-3,4-dihydro-2H-benzo[1,4]oxazine,
2H-1,4-Benzoxazine, 3,4-dihydro-6,8-dimethyl,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.22g/mol |
| Monoisotopic Mass | 163.1g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number