6-tert-butyl-3-methyl-2,4-dinitroanisole (Q26841326)

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chemical compound

• 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene

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Language	Label	Description	Also known as
English	6-tert-butyl-3-methyl-2,4-dinitroanisole	chemical compound	1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

mass

268.106±0 dalton

1 reference

stated in

PubChem

PubChem CID

6753

language of work or name

English

title

MUSK AMBRETTE (English)

retrieved

9 October 2016

chemical formula

C₁₂H₁₆N₂O₅

1 reference

stated in

PubChem

PubChem CID

6753

language of work or name

English

title

MUSK AMBRETTE (English)

retrieved

20 November 2016

canonical SMILES

CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-]

1 reference

stated in

PubChem

PubChem CID

6753

language of work or name

English

title

MUSK AMBRETTE (English)

retrieved

20 November 2016

found in taxon

Piper nigrum

3 references

stated in

Volatiles of Black Pepper Fruits (Piper nigrum L.).

stated in

New amide alkaloids from the roots of Piper nigrum

stated in

Nigramides A-S, dimeric amide alkaloids from the roots of Piper nigrum

Senegalia berlandieri

1 reference

stated in

Toxic amines and alkaloids from Acacia berlandieri

subject has role

mutagen

1 reference

stated in

Medical Subject Headings

MeSH descriptor ID

C020422

retrieved

15 March 2018

Commons category

Musk ambrette

0 references

Identifiers

InChI

InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3

1 reference

stated in

PubChem

PubChem CID

6753

language of work or name

English

title

MUSK AMBRETTE (English)

retrieved

20 November 2016

InChIKey

SUAUILGSCPYJCS-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

6753

language of work or name

English

title

MUSK AMBRETTE (English)

retrieved

20 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

83-66-9

2 references

stated in

Global Substance Registration System

UNII

55V150W8R6

language of work or name

English

title

6-tert-butyl-3-methyl-2,4-dinitroanisole (English)

retrieved

20 November 2016

InChIKey

SUAUILGSCPYJCS-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=83-66-9

ChemSpider ID

6496

1 reference

stated in

ChemSpider

ChemSpider ID

6496

language of work or name

English

title

musk ambrette (English)

retrieved

20 November 2016

PubChem CID

6753

2 references

stated in

PubChem

PubChem CID

6753

language of work or name

English

title

MUSK AMBRETTE (English)

retrieved

20 November 2016

matched by identifier from

InChIKey

InChIKey

SUAUILGSCPYJCS-UHFFFAOYSA-N

ChEBI ID

82495

mapping relation type

exact match

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL1373568

language of work or name

English

title

CHEMBL1373568 (English)

retrieved

20 November 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3

ChEMBL ID

CHEMBL1373568

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL1373568

language of work or name

English

title

CHEMBL1373568 (English)

retrieved

20 November 2016

SureChEMBL ID

SCHEMBL155056

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

SUAUILGSCPYJCS-UHFFFAOYSA-N

UniChem compound ID

810833

1 reference

stated in

UniChem

NMRShiftDB structure ID

10009220

1 reference

matched by identifier from

InChIKey

InChIKey

SUAUILGSCPYJCS-UHFFFAOYSA-N

CAMEO Chemicals ID

20716

0 references

ZVG number

491222

0 references

HSDB ID

7693

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

7693

publication date

28 October 2019

title

MUSK AMBRETTE (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID7025689

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

SUAUILGSCPYJCS-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID705689

0 references

NSC number

46122

0 references

59845

0 references

EC number

201-493-7

1 reference

stated in

Global Substance Registration System

UNII

55V150W8R6

language of work or name

English

title

6-tert-butyl-3-methyl-2,4-dinitroanisole (English)

retrieved

20 November 2016

ECHA Substance Infocard ID

100.001.358

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.001.358

retrieved

27 December 2018

title

4-tert-butyl-3-methoxy-2,6-dinitrotoluene (English)

quotation

CAS no.: 83-66-9 (English)

MeSH descriptor ID

C020422

1 reference

stated in

Medical Subject Headings

MeSH descriptor ID

C020422

retrieved

14 March 2018

Human Metabolome Database ID

HMDB0254956

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

SUAUILGSCPYJCS-UHFFFAOYSA-N

KNApSAcK ID

C00055996

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

SUAUILGSCPYJCS-UHFFFAOYSA-N

UNII

55V150W8R6

2 references

stated in

Global Substance Registration System

UNII

55V150W8R6

language of work or name

English

title

6-tert-butyl-3-methyl-2,4-dinitroanisole (English)

retrieved

20 November 2016

matched by identifier from

InChIKey

InChIKey

SUAUILGSCPYJCS-UHFFFAOYSA-N

KEGG ID

C19461

1 reference

stated in

ChEBI

ChEBI ID

82495

language of work or name

English

title

Musk ambrette (English)

retrieved

9 October 2016

HCIS ID

5351

0 references

UMLS CUI

C0066965

1 reference

based on heuristic

inferred by common MeSH mappings on source and on Wikidata

stated in

UMLS 2023

retrieved

25 May 2023

 

Sitelinks

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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(1 entry)

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• commonswiki Category:Musk ambrette

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