| CAS Number | 1989659-75-7 |
| Catalog Number | AG00ILX2(AGN-PC-0WG3FA) |
| Chemical Name | 1-Benzyloctahydropyrrolo[3,4-b]pyrrole hydrochloride |
| IUPAC Name | 1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;hydrochloride |
| InChI | InChI=1S/C13H18N2.ClH/c1-2-4-11(5-3-1)10-15-7-6-12-8-14-9-13(12)15;/h1-5,12-14H,6-10H2;1H |
| InChI Key | NALGJLJNZAKJTK-UHFFFAOYSA-N |
| MDL Number | MFCD30342703 |
| Molecular Formula | C13H19ClN2 |
| Molecular Weight | 238.7564 |
| SMILES | N1CC2C(C1)N(CC2)Cc1ccccc1.Cl |
| Synonyms | 1-benzyloctahydropyrrolo[3,4-b]pyrrole hydrochloride,
1989659-75-7,
AKOS032464454,
CS-0029499,
F8887-9213,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.759g/mol |
| Monoisotopic Mass | 238.124g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number