ethyl nicotinate (Q16948611)

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Nicotinic acid ethyl ester

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Language	Label	Description	Also known as
English	ethyl nicotinate	Nicotinic acid ethyl ester

Statements

instance of

type of chemical entity

0 references

subclass of

pyridine alkaloids

0 references

mass

151.063±0 dalton

1 reference

stated in

PubChem

PubChem CID

69188

language of work or name

English

title

Ethyl nicotinate (English)

retrieved

14 October 2016

chemical formula

C₈H₉NO₂

1 reference

stated in

PubChem

PubChem CID

69188

language of work or name

English

title

Ethyl nicotinate (English)

retrieved

19 November 2016

canonical SMILES

CCOC(=O)C1=CN=CC=C1

1 reference

stated in

PubChem

PubChem CID

69188

language of work or name

English

title

Ethyl nicotinate (English)

retrieved

19 November 2016

melting point

9.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

starfruit

1 reference

stated in

Volatile constituents of carambola (Averrhoa carambola L.)

Areca catechu

3 references

stated in

Volatile alkaloids from Areca catechu

stated in

Volatile alkaloids from Areca catechu

stated in

Volatile alkaloids from Areca catechu

Identifiers

InChI

InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3

1 reference

stated in

PubChem

PubChem CID

69188

language of work or name

English

title

Ethyl nicotinate (English)

retrieved

19 November 2016

InChIKey

XBLVHTDFJBKJLG-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

69188

language of work or name

English

title

Ethyl nicotinate (English)

retrieved

19 November 2016

CAS Registry Number

614-18-6

2 references

stated in

Global Substance Registration System

UNII

NIJ3H353YH

language of work or name

English

title

ethyl nicotinate (English)

retrieved

19 November 2016

InChIKey

XBLVHTDFJBKJLG-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=614-18-6

ChemSpider ID

62402

1 reference

stated in

ChemSpider

ChemSpider ID

62402

language of work or name

English

title

Ethyl nicotinate (English)

retrieved

19 November 2016

PubChem CID

69188

2 references

stated in

PubChem

PubChem CID

69188

language of work or name

English

title

Ethyl nicotinate (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

XBLVHTDFJBKJLG-UHFFFAOYSA-N

ChEBI ID

192166

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3

ChEMBL ID

CHEMBL2251611

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL2251611

language of work or name

English

title

ETHYL NICOTINATE (English)

retrieved

19 November 2016

SureChEMBL ID

SCHEMBL24853

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XBLVHTDFJBKJLG-UHFFFAOYSA-N

UniChem compound ID

12985594

1 reference

stated in

UniChem

NMRShiftDB structure ID

10008606

1 reference

matched by identifier from

InChIKey

InChIKey

XBLVHTDFJBKJLG-UHFFFAOYSA-N

DSSTox substance ID

DTXSID9046526

2 references

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

InChIKey

XBLVHTDFJBKJLG-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID7026526

0 references

NSC number

8872

0 references

EC number

210-370-7

1 reference

stated in

Global Substance Registration System

UNII

NIJ3H353YH

language of work or name

English

title

ethyl nicotinate (English)

retrieved

19 November 2016

ECHA Substance Infocard ID

100.009.429

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.009.429

retrieved

27 December 2018

title

Ethyl nicotinate (English)

quotation

CAS no.: 614-18-6 (English)

FL number

14.110

1 reference

quotation

CAS no.: 614-18-6 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

14.110

CosIng number

33838

1 reference

stated in

CosIng database

CosIng number

33838

retrieved

28 December 2019

title

ETHYL NICOTINATE (English)

quotation

CAS no.: 614-18-6 (English)

AICS Chemical ID (BEING DELETED)

5244

0 references

RxNorm ID

236122

1 reference

stated in

Global Substance Registration System

UNII

NIJ3H353YH

language of work or name

English

title

ethyl nicotinate (English)

retrieved

19 November 2016

Human Metabolome Database ID

HMDB0059846

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XBLVHTDFJBKJLG-UHFFFAOYSA-N

KNApSAcK ID

C00044164

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XBLVHTDFJBKJLG-UHFFFAOYSA-N

UNII

NIJ3H353YH

2 references

stated in

Global Substance Registration System

UNII

NIJ3H353YH

language of work or name

English

title

ethyl nicotinate (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

XBLVHTDFJBKJLG-UHFFFAOYSA-N

Probes And Drugs ID

PD159650

0 references

 

Sitelinks

Wikipedia(1 entry)

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Wikibooks(0 entries)

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Wikinews(0 entries)

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Wikiquote(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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