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rel-1,1-Dimethylethyl (4aR,7aR)-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate

rel-1,1-Dimethylethyl (4aR,7aR)-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate structure

CAS No:
181141-40-2
Formula:
C12H22N2O2
Chemical Name:
rel-1,1-Dimethylethyl (4aR,7aR)-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate
Synonyms:
1H-Pyrrolo[3,4-b]pyridine-1-carboxylic acid,octahydro-,1,1-dimethylethyl ester,(4aR,7aR)-rel-;1H-Pyrrolo[3,4-b]pyridine-1-carboxylic acid,octahydro-,1,1-dimethylethyl ester,cis-;rel-1,1-Dimethylethyl (4aR,7aR)-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate;tert-Butyl cis-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate;tert-Butyl rel-(4aR,7aR)-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate

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rel-1,1-Dimethylethyl (4aR,7aR)-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate Basic Attributes

Molecular Weight：

226.32 g/mol

Exact Mass：

226.32

DSSTox ID：

DTXSID30364041

Characteristics

PSA：

41.6 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:226.32
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:226.168127949
Monoisotopic Mass:226.168127949
Topological Polar Surface Area:41.6
Heavy Atom Count:16
Complexity:273
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Hot Searches: malonic acid; etoricoxib drug; pyrazine; benzamide; li2co3; vanadium nitride

Guide of rel-1,1-Dimethylethyl (4aR,7aR)-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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