| CAS Number | 889460-62-2 |
| Catalog Number | AG00H35N |
| Chemical Name | (S)-3-Amino-5-Methyl-2,3-Dihydrobenzo[B][1,4]Oxazepin-4(5H)-One |
| IUPAC Name | (3S)-3-amino-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one |
| InChI | InChI=1S/C10H12N2O2/c1-12-8-4-2-3-5-9(8)14-6-7(11)10(12)13/h2-5,7H,6,11H2,1H3/t7-/m0/s1 |
| InChI Key | WGQRJYAYYNVCJS-ZETCQYMHSA-N |
| MDL Number | MFCD29933730 |
| Molecular Formula | C10H12N2O2 |
| Molecular Weight | 192.2145 |
| SMILES | N[C@@H]1C(N(C2=C(OC1)C=CC=C2)C)=O |
| Synonyms | (S)-3-Amino-5-methyl-2,3-dihydrobenzo[b][1,4]oxazepin-4(5H)-one,
889460-62-2,
SCHEMBL1561552,
CHEMBL4059693,
WGQRJYAYYNVCJS-ZETCQYMHSA-N,
(S)-7-amino-9-methyl-6,7-dihydro-9H-5-oxa-9-aza-benzocyclohepten-8-one,
CS-0044726,
J3.650.797G,
3alpha-Amino-5-methyl-2,3-dihydro-1,5-benzooxazepine-4(5H)-one,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.218g/mol |
| Monoisotopic Mass | 192.09g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number