1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate
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1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate
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CAS No:
487048-28-2
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Formula:
C12H18N2O4
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Chemical Name:
1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate
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Synonyms:
1,2-Pyrrolidinedicarboxylic acid,4-cyano-,1-(1,1-dimethylethyl) 2-methyl ester,(2S,4S)-;1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate;1-tert-Butyl 2-methyl (2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylate;N-(tert-Butoxycarbonyl)-(4S)-4-cyano-L-proline methyl ester
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CAS No:
1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate Basic Attributes
254.28
254.28
688-361-6
DTXSID40590516
2933990090
Safety Information
IRRITANT
P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H301
|Danger|H301 (57.14%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:254.28
XLogP3:0.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:254.12665706
Monoisotopic Mass:254.12665706
Topological Polar Surface Area:79.6
Heavy Atom Count:18
Complexity:391
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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