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Ethyl 4-pyridineacetate

Ethyl 4-pyridineacetate structure

CAS No:
54401-85-3
Formula:
C9H11NO2
Chemical Name:
Ethyl 4-pyridineacetate
Synonyms:
4-Pyridineacetic acid,ethyl ester;Ethyl 4-pyridineacetate;Ethyl 4-pyridylacetate;Ethyl 4-pyridinylacetate;2-(Pyridin-4-yl)ethanoic acid ethyl ester;Ethyl 2-(4-pyridinyl)acetate;2-(4-Pyridyl)acetic acid ethyl ester;Ethyl 2-(4-pyridyl)acetate;(Pyridin-4-yl)acetic acid ethyl ester;(4-Pyridyl)acetic acid ethyl ester
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Ethyl 4-pyridineacetate Basic Attributes

Molecular Weight：

165.19

Exact Mass：

165.19

BRN：

123786

EC Number：

259-150-2

DSSTox ID：

DTXSID30202797

HScode：

2933399090

Characteristics

PSA：

39.2

XLogP3：

0.7

Density：

1.079 g/mL at 25 °C(lit.)

Melting Point：

18-19 °C

Boiling Point：

107-108 °C @ Press: 3 Torr

Flash Point：

>230 °F

Refractive Index：

n20/D 1.499(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl 4-pyridineacetate Use and Manufacturing

Ethyl 4-Pyridylacetate shows potential ability as an anticonvulsant and also exhibits neuropathic pain-attenuating properties.

Computed Properties

Molecular Weight:165.19
XLogP3:0.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:165.078978594
Monoisotopic Mass:165.078978594
Topological Polar Surface Area:39.2
Heavy Atom Count:12
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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ETHYL 4-PYRIDYLACETATE

CAS No.: 54401-85-3

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