tert-Butyl (3aS,6aS)-Hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate - CAS 370882-55-6
Catalog: |
BB073361 |
Product Name: |
tert-Butyl (3aS,6aS)-Hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate |
CAS: |
370882-55-6 |
Synonyms: |
(3aS,6aS)-tert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate; cis-5-Boc-1H-Hexahydropyrrolo[3,4-b]pyrrole; tert-butyl (3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate; tert-butyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate; cis-tert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate; cis-hexahydro-pyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester; (3AS,6aS)-tert-Butyl hexahydropyrrolo-[3,4-b]pyrrole-5(1H)-carboxylate |
IUPAC Name: | tert-butyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate |
Molecular Weight: | 212.29 |
Molecular Formula: | C11H20N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2CCNC2C1 |
InChI: | InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-8-4-5-12-9(8)7-13/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1 |
InChI Key: | NYGXZCRPVBPJTA-DTWKUNHWSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.152477885 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.152477885 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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