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Ethyl nipecotate

Ethyl nipecotate structure

CAS No:
5006-62-2
Formula:
C8H15NO2
Chemical Name:
Ethyl nipecotate
Synonyms:
3-Piperidinecarboxylic acid,ethyl ester;Nipecotic acid,ethyl ester;Ethyl nipecotate;3-(Ethoxycarbonyl)piperidine;Ethyl 3-piperidinecarboxylate;(±)-3-Piperidinecarboxylic acid ethyl ester;NSC 158451;71962-74-8
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to yellow-brown liquid

Ethyl nipecotate Basic Attributes

Molecular Weight：

157.21000

Exact Mass：

157.21

EC Number：

276-211-9

NSC Number：

158451

HScode：

2933399090

Characteristics

PSA：

38.33000

XLogP3：

0.1

Density：

1.0121 g/cm³ @ Temp: 20 °C

Melting Point：

165-167 °C

Boiling Point：

102-104 °C @ Press: 7 Torr

Flash Point：

90.6ºC

Refractive Index：

1.458-1.461

Water Solubility：

Micible with water.

Safety Information

wgk germany：

hazard class code：

R34

safety instructions：

S26-S36/37/39-S45

Marks：

Xi; C

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 49 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

ethyl nipecotate

Ethyl nipecotate Use and Manufacturing

Ethyl Nipecotate is used in the synthesis of cyanothiophene inhibitors of peptidoglycan biosynthesis.

Computed Properties

Molecular Weight:157.21
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:157.110278721
Monoisotopic Mass:157.110278721
Topological Polar Surface Area:38.3
Heavy Atom Count:11
Complexity:136
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Grade: Industrial Grade

Content: 99%

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Ethylnipecotate 98%

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CN
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CAS No.: 5006-62-2

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