1-Pyrrolidinecarboxylic acid, 3-cyano-4-oxo-, 1,1-dimethylethyl ester
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1-Pyrrolidinecarboxylic acid, 3-cyano-4-oxo-, 1,1-dimethylethyl ester
structure -
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CAS No:
175463-32-8
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Formula:
C10H14N2O3
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Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-cyano-4-oxo-, 1,1-dimethylethyl ester
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Synonyms:
1-Pyrrolidinecarboxylic acid,3-cyano-4-oxo-,1,1-dimethylethyl ester;tert-Butyl 3-cyano-4-oxo-1-pyrrolidine carboxylate;1-tert-Butoxycarbonyl-4-oxopyrrolidine-3-carbonitrile;1,1-Dimethylethyl 3-cyano-4-oxo-1-pyrrolidinecarboxylate;1-Boc-3-cyano-4-pyrrolidinone;1-Boc-4-cyanopyrrolidin-3-one;1-Boc-3-cyano-4-oxopyrrolidine
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CAS No:
1-Pyrrolidinecarboxylic acid, 3-cyano-4-oxo-, 1,1-dimethylethyl ester Basic Attributes
210.23
210.23
700-004-9
DTXSID60373540
2933990090
Characteristics
70.40000
0.88388
1.18±0.1 g/cm3
160-161 °C
360.7±42.0 °C(Predicted)
172ºC
1.499
2.17E-05mmHg at 25°C
-4.24±0.40
Safety Information
III
6.1
UN3439
20/21/22-36/37/38
9-26-36/37
|Warning|H302+H312+H332 (14.29%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|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 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:210.23
XLogP3:0.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:210.10044231
Monoisotopic Mass:210.10044231
Topological Polar Surface Area:70.4
Heavy Atom Count:15
Complexity:334
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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