| CAS Number | 1330764-98-1 |
| Catalog Number | AG00HSRU(AGN-PC-0WG4SD) |
| Chemical Name | tert-Butyl 5,6,8,9-tetrahydro-7H-imidazo[1,2-d][1,4]diazepine-7-carboxylate |
| IUPAC Name | tert-butyl 5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxylate |
| InChI | InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-6-4-10-13-5-7-14(10)8-9-15/h5,7H,4,6,8-9H2,1-3H3 |
| InChI Key | UUEGIWZUYCIAPL-UHFFFAOYSA-N |
| MDL Number | MFCD20231184 |
| Molecular Formula | C12H19N3O2 |
| Molecular Weight | 237.2982 |
| SMILES | C(=O)(OC(C)(C)C)N1CCc2n(CC1)ccn2 |
| Synonyms | tert-butyl 8,9-dihydro-5H-imidazo[1,2-d][1,4]diazepine-7(6H)-carboxylate,
1330764-98-1,
MFCD20231184,
ZINC91304676,
AM805708,
CS-0036395,
t-Butyl 8,9-dihydro-5H-imidazo[1,2-d][1,4]diazepine-7(6H)-carboxylate,
tert-Butyl 5,6,8,9-tetrahydro-7H-imidazo[1,2-d][1,4]diazepine-7-carboxylate,
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| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.303g/mol |
| Monoisotopic Mass | 237.148g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number