| CAS Number | 1338563-18-0 |
| Catalog Number | AG01DLDZ |
| Chemical Name | Ethyl 2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxylate hydrochloride |
| IUPAC Name | ethyl 2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxylate;hydrochloride |
| InChI | InChI=1S/C11H16N2O2.ClH/c1-2-15-11(14)9-6-10-7-12-4-3-5-13(10)8-9;/h6,8,12H,2-5,7H2,1H3;1H |
| InChI Key | WLKROXVJFMXMGY-UHFFFAOYSA-N |
| MDL Number | MFCD29058599 |
| Molecular Formula | C11H17ClN2O2 |
| Molecular Weight | 244.7179 |
| SMILES | Cl.CCOC(=O)C1=CN2CCCNCC2=C1 |
| Synonyms | 1338563-18-0,
ethyl 2,3,4,5-tetrahydro-1h-pyrrolo[1,2-a][1,4]diazepine-8-carboxylate hcl,
Ethyl 2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxylate hydrochloride,
MFCD29058599,
AS-35541,
2301851-02-3,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.719g/mol |
| Monoisotopic Mass | 244.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number