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3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER

3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER structure

CAS No:
914988-10-6
Formula:
C11H16N2O3
Chemical Name:
3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER
Synonyms:
TERT-BUTYL 3-CYANO-4-OXOPIPERIDINE-1-CARBOXYLATE;tert-butyl 4-cyano-3-oxopiperidine-1-carboxylate;3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1-Boc-4-oxopiperidine-3-carbonitrile;1-Piperidinecarboxylic acid,3-cyano-4-oxo-,1,1-dimethylethyl ester;3-Cyano-4-Oxo-1-Piperidinecarboxylic Acid 1,1-Dimethylethyl Ester;N-BOC-3-cyano-4-oxopiperidine;Tert-butyl 3-cyano-4-oxo-1-piperidinecarboxylate
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER Basic Attributes

Molecular Weight：

224.26

Exact Mass：

224.11609238

DSSTox ID：

DTXSID10654977

Characteristics

Density：

1.15±0.1 g/cm3

Melting Point：

97-99 °C

Boiling Point：

375.1±42.0 °C(Predicted)

PKA：

-3.72±0.40

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:224.26
XLogP3:0.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:224.11609238
Monoisotopic Mass:224.11609238
Topological Polar Surface Area:70.4
Heavy Atom Count:16
Complexity:348
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER

Basic Attributes
Characteristics
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