rel-(3aR,6aS)-Octahydro-2-(phenylmethyl)pyrrolo[3,4-c]pyrrole
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![rel-(3aR,6aS)-Octahydro-2-(phenylmethyl)pyrrolo[3,4-c]pyrrole structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/91caf4e9235c4ccdb070c1c427947ab9.png "rel-(3aR,6aS)-Octahydro-2-(phenylmethyl)pyrrolo[3,4-c]pyrrole")
rel-(3aR,6aS)-Octahydro-2-(phenylmethyl)pyrrolo[3,4-c]pyrrole
structure -
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CAS No:
172739-04-7
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Formula:
C13H18N2
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Chemical Name:
rel-(3aR,6aS)-Octahydro-2-(phenylmethyl)pyrrolo[3,4-c]pyrrole
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Synonyms:
Pyrrolo[3,4-c]pyrrole,octahydro-2-(phenylmethyl)-,(3aR,6aS)-rel-;Pyrrolo[3,4-c]pyrrole,octahydro-2-(phenylmethyl)-,cis-;rel-(3aR,6aS)-Octahydro-2-(phenylmethyl)pyrrolo[3,4-c]pyrrole;cis-2-Benzyloctahydropyrrolo[3,4-c]pyrrole;1220514-65-7;1938368-39-8;2061926-02-9
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CAS No:
rel-(3aR,6aS)-Octahydro-2-(phenylmethyl)pyrrolo[3,4-c]pyrrole Basic Attributes
202.3
202.30
2933990090
Characteristics
15.3
1.32
1.1±0.1 g/cm3
299.6±33.0 °C at 760 mmHg
124.0±16.4 °C
1.570
0.00118mmHg at 25°C
Safety Information
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:202.30
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:202.146998583
Monoisotopic Mass:202.146998583
Topological Polar Surface Area:15.3
Heavy Atom Count:15
Complexity:199
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
rel-(3aR,6aS)-Octahydro-2-(phenylmethyl)pyrrolo[3,4-c]pyrrole
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