| CAS Number | 1341037-28-2 |
| Catalog Number | AG00HT6Z(AGN-PC-0WG4SE) |
| Chemical Name | 7-tert-Butyl 3-ethyl 8,9-dihydro-5h-imidazo[1,2-d][1,4]diazepine-3,7(6h)-dicarboxylate |
| IUPAC Name | 7-O-tert-butyl 3-O-ethyl 5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3,7-dicarboxylate |
| InChI | InChI=1S/C15H23N3O4/c1-5-21-13(19)11-10-16-12-6-7-17(8-9-18(11)12)14(20)22-15(2,3)4/h10H,5-9H2,1-4H3 |
| InChI Key | NNBCUGSHQIGJSO-UHFFFAOYSA-N |
| MDL Number | MFCD27997387 |
| Molecular Formula | C15H23N3O4 |
| Molecular Weight | 309.3608 |
| SMILES | CCOC(=O)c1cnc2CCN(CCn12)C(=O)OC(C)(C)C |
| Synonyms | 7-tert-Butyl 3-ethyl 8,9-dihydro-5H-imidazo[1,2-d][1,4]diazepine-3,7(6H)-dicarboxylate,
1341037-28-2,
MFCD27997387,
CS-0037341,
7-t-Butyl 3-ethyl 8,9-dihydro-5H-imidazo[1,2-d][1,4]diazepine-3,7(6H)-dicarboxylate,
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| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.366g/mol |
| Monoisotopic Mass | 309.169g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 73.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number