| CAS Number | 1253380-84-5 |
| Catalog Number | AG01BHUR |
| Chemical Name | 4-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-amine |
| IUPAC Name | 4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine |
| InChI | InChI=1S/C9H12N2O/c1-11-5-6-12-8-4-2-3-7(10)9(8)11/h2-4H,5-6,10H2,1H3 |
| InChI Key | XPAGSUWRLQZFMD-UHFFFAOYSA-N |
| MDL Number | MFCD20727027 |
| Molecular Formula | C9H12N2O |
| Molecular Weight | 164.2044 |
| SMILES | CN1C2=C(C=CC=C2N)OCC1 |
| Synonyms | 4-methyl-3,4-dihydro-2h-1,4-benzoxazin-5-amine,
1253380-84-5,
4-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-5-amine,
SCHEMBL3723290,
AKOS022529075,
N/A,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.208g/mol |
| Monoisotopic Mass | 164.095g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number