| CAS Number | 1823794-60-0 |
| Catalog Number | AG019F2G(AGN-PC-0WG4TI) |
| Chemical Name | tert-butyl 4-(2-aminoethyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-2-carboxylate |
| IUPAC Name | tert-butyl 4-(2-aminoethyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-2-carboxylate |
| InChI | InChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)18-10-12(6-7-16)9-17-8-4-5-13(17)11-18/h4-5,8,12H,6-7,9-11,16H2,1-3H3 |
| InChI Key | CMEOCMAGVCDLOL-UHFFFAOYSA-N |
| MDL Number | MFCD28119048 |
| Molecular Formula | C15H25N3O2 |
| Molecular Weight | 279.3779 |
| SMILES | CC(C)(C)OC(=O)N1CC(CCN)Cn2cccc2C1 |
| Synonyms | 1823794-60-0,
Tert-Butyl 4-(2-Aminoethyl)-4,5-Dihydro-1H-Pyrrolo[1,2-A][1,4]Diazepine-2(3H)-Carboxylate,
MFCD28119048,
CS-0037848,
t-Butyl 4-(2-aminoethyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-2(3H)-carboxylate,
Tert-Butyl 4-(2-Aminoethyl)-4,5-Dihydro-1H-Pyrrolo[1,2-A][1,4]Diazepine-2(3H)-Carboxylate(WX141773),
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| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.384g/mol |
| Monoisotopic Mass | 279.195g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 60.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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