| CAS Number | 1338729-66-0 |
| Catalog Number | AG00J2B1(AGN-PC-0WOVR7) |
| Chemical Name | rac-(3aR,6aS)-2-methyloctahydropyrrolo[3,4-c]pyrrole dihydrochloride |
| IUPAC Name | (3aR,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride |
| InChI | InChI=1S/C7H14N2.2ClH/c1-9-4-6-2-8-3-7(6)5-9;;/h6-8H,2-5H2,1H3;2*1H/t6-,7+;; |
| InChI Key | NQSFFBGSZKBOTL-DTQHMAPFSA-N |
| MDL Number | MFCD26406401 |
| Molecular Formula | C7H16Cl2N2 |
| Molecular Weight | 199.1213 |
| SMILES | Cl.Cl.CN1C[C@@H]2CNC[C@@H]2C1 |
| Synonyms | 1338729-66-0,
cis-2-Methyloctahydropyrrolo[3,4-c]pyrrole dihydrochloride,
rac-(3aR,6aS)-2-methyloctahydropyrrolo[3,4-c]pyrrole dihydrochloride,
SCHEMBL15058446,
MFCD26406401,
AKOS026744716,
SB18395,
(3aR*,6aS*)-2-methyloctahydropyrrolo[3,4-c]pyrrole dihydrochloride,
cis-2-methyl-octahydropyrrolo[3,4-c]pyrrole dihydrochloride,
86732-28-7,
|
| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.119g/mol |
| Monoisotopic Mass | 198.069g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number