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1,1-Dimethylethyl 3-piperidinecarboxylate

1,1-Dimethylethyl 3-piperidinecarboxylate structure

CAS No:
301180-05-2
Formula:
C10H19NO2
Chemical Name:
1,1-Dimethylethyl 3-piperidinecarboxylate
Synonyms:
3-Piperidinecarboxylic acid,1,1-dimethylethyl ester;1,1-Dimethylethyl 3-piperidinecarboxylate;tert-Butyl nipecotate;tert-Butyl piperidine-3-carboxylate;Nipecotic acid tert-butyl ester

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1,1-Dimethylethyl 3-piperidinecarboxylate Basic Attributes

Molecular Weight：

185.26

Exact Mass：

185.26

DSSTox ID：

DTXSID40655073

HScode：

2933399090

Characteristics

PSA：

38.33000

XLogP3：

2.45850

Density：

0.976±0.06 g/cm3

Boiling Point：

241.0±33.0 °C(Predicted)

Flash Point：

122.3ºC

Refractive Index：

1.452

PKA：

9.28±0.10

Safety Information

Hazard category：

IRRITANT

hazard class code：

37/38-41-51

safety instructions：

26-39

Marks：

GHS Classification：

|Danger|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, 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:185.26
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:185.141578849
Monoisotopic Mass:185.141578849
Topological Polar Surface Area:38.3
Heavy Atom Count:13
Complexity:184
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1-Dimethylethyl 3-piperidinecarboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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