1-O-tert-butyl 3-O-ethyl (3S)-piperidine-1,3-dicarboxylate
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1-O-tert-butyl 3-O-ethyl (3S)-piperidine-1,3-dicarboxylate
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CAS No:
191599-51-6
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Formula:
C13H23NO4
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Chemical Name:
1-O-tert-butyl 3-O-ethyl (3S)-piperidine-1,3-dicarboxylate
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Synonyms:
Ethyl 1-Boc-L-nipecotate;
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CAS No:
1-O-tert-butyl 3-O-ethyl (3S)-piperidine-1,3-dicarboxylate Basic Attributes
257.32600
257.16270821 g/mol
DTXSID30363892
2933399090
Characteristics
55.84000
2.13450
1.077 g/cm3
35-40ºC
323.9ºC at 760 mmHg
>110ºC
1.473
0.000254mmHg at 25°C
Safety Information
R26; R36
S26
Xn
P305 + P351 + P338
H302; H319
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:257.33
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:257.16270821
Monoisotopic Mass:257.16270821
Topological Polar Surface Area:55.8
Heavy Atom Count:18
Complexity:309
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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