| CAS Number | 1330765-01-9 |
| Catalog Number | AG00HSRW(AGN-PC-0WG4SF) |
| Chemical Name | tert-Butyl 3-bromo-8,9-dihydro-5H-imidazo[1,2-d][1,4]diazepine-7(6H)-carboxylate |
| IUPAC Name | tert-butyl 3-bromo-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxylate |
| InChI | InChI=1S/C12H18BrN3O2/c1-12(2,3)18-11(17)15-5-4-10-14-8-9(13)16(10)7-6-15/h8H,4-7H2,1-3H3 |
| InChI Key | VPOJINOXLDKIJR-UHFFFAOYSA-N |
| MDL Number | MFCD20231185 |
| Molecular Formula | C12H18BrN3O2 |
| Molecular Weight | 316.1942 |
| SMILES | BrC1=CN=C2N1CCN(CC2)C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 3-bromo-8,9-dihydro-5H-imidazo[1,2-d][1,4]diazepine-7(6H)-carboxylate,
1330765-01-9,
MFCD20231185,
CS-0037847,
t-Butyl 3-bromo-8,9-dihydro-5H-imidazo[1,2-d][1,4]diazepine-7(6H)-carboxylate,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.199g/mol |
| Monoisotopic Mass | 315.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number