| CAS Number | 2060005-54-9 |
| Catalog Number | AG01BVNV |
| Chemical Name | 2-benzyl-3a,6a-dimethyl-octahydropyrrolo[3,4-c]pyrrole dihydrochloride |
| IUPAC Name | 5-benzyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride |
| InChI | InChI=1S/C15H22N2.2ClH/c1-14-9-16-10-15(14,2)12-17(11-14)8-13-6-4-3-5-7-13;;/h3-7,16H,8-12H2,1-2H3;2*1H |
| InChI Key | MVNVFQNCRIKZJJ-UHFFFAOYSA-N |
| MDL Number | MFCD30497596 |
| Molecular Formula | C15H24Cl2N2 |
| Molecular Weight | 303.2705 |
| SMILES | Cl.Cl.CC12CN(CC3=CC=CC=C3)CC1(C)CNC2 |
| Synonyms | 2-benzyl-3a,6a-dimethyl-octahydropyrrolo[3,4-c]pyrrole dihydrochloride,
2060005-54-9,
Z2687203701,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.271g/mol |
| Monoisotopic Mass | 302.132g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number