DL-(3aS,6aS)-1-methyl-hexahydropyrrolo[3,4-b]pyrrole - CAS 877212-98-1
Catalog: |
BB074662 |
Product Name: |
DL-(3aS,6aS)-1-methyl-hexahydropyrrolo[3,4-b]pyrrole |
CAS: |
877212-98-1 |
Synonyms: |
(3AS,6AS)-1-METHYL-HEXAHYDROPYRROLO[3,4-B]PYRROLE; cis-1-Methyloctahydropyrrolo[3,4-b]pyrrole; (3aS,6aS)-1-Methyloctahydropyrrolo[3,4-b]pyrrole; cis-1-Methylhexahydropyrrolo[3,4-b]pyrrole; (3aS,6aS)-1-Methyl-hexahydro-2H-pyrrolo[2,3-c]pyrrole; (3aS,6aS)-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole |
IUPAC Name: | (3aS,6aS)-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole |
Description: | DL-(3aS,6aS)-1-methyl-hexahydropyrrolo[3,4-b]pyrrole |
Molecular Weight: | 199.12 |
Molecular Formula: | C7H16Cl2N2 |
Canonical SMILES: | CN1CCC2C1CNC2 |
InChI: | InChI=1S/C7H14N2/c1-9-3-2-6-4-8-5-7(6)9/h6-8H,2-5H2,1H3/t6-,7+/m0/s1 |
InChI Key: | PFZIWBWEHFZIMT-NKWVEPMBSA-N |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.115698455 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.115698455 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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