4-hydroxybenzyl cyanide (Q27102019)

Gene Ontology release 2020-05-02

Rhea release 113

chemical structure

4-Hydroxyphenylacetonitrile.svg
329 × 127; 5 KB

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mass

133.053±0 dalton

1 reference

4-Hydroxybenzyl cyanide (English)

19 October 2016

chemical formula

C₈H₇NO

1 reference

4-Hydroxybenzyl cyanide (English)

20 November 2016

canonical SMILES

C1=CC(=CC=C1CC#N)O

1 reference

4-Hydroxybenzyl cyanide (English)

20 November 2016

melting point

69.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

moringa

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Mutagens from roasted seeds of Moringa oleifera

Drypetes gossweileri

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Chemical constituents of Drypetes gossweileri and their enzyme inhibitory and anti-fungal activities

Moringa pterygosperma

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Mutagens from roasted seeds of Moringa oleifera

Identifiers

InChI

InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2

1 reference

4-Hydroxybenzyl cyanide (English)

20 November 2016

2 references

4-Hydroxybenzyl cyanide (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

14191-95-8

2 references

Global Substance Registration System

4-hydroxybenzyl cyanide (English)

20 November 2016

https://commonchemistry.cas.org/detail?cas_rn=14191-95-8

10 April 2021

1 reference

4-Hydroxy benzyl cyanide (English)

20 November 2016

2 references

4-Hydroxybenzyl cyanide (English)

20 November 2016

Reaxys registry number

1934470

1 reference

(4-hydroxyphenyl)acetonitrile (English)

19 October 2016

ChEBI ID

16667

mapping relation type

2 references

(4-hydroxyphenyl)acetonitrile (English)

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2

SureChEMBL ID

SCHEMBL448467

2 references

based on heuristic

inferred from InChIKey

splash10-0006-3910000000-5b69065373b7549e8c7a

1 reference

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NMRShiftDB structure ID

10006042

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DSSTox substance ID

DTXSID90161856

2 references

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

DSSTOX compound identifier

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1 reference

Global Substance Registration System

4-hydroxybenzyl cyanide (English)

ECHA Substance Infocard ID

20 November 2016

100.034.572

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.034.572

27 December 2018

Human Metabolome Database ID

4-hydroxyphenylacetonitrile (English)

quotation

CAS no.: 14191-95-8 (English)

HMDB0029757

2 references

based on heuristic

inferred from InChIKey

3 references

(4-hydroxyphenyl)acetonitrile (English)

19 October 2016

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

4-hydroxybenzyl cyanide (English)

20 November 2016

0 references

0 references

0 references

1 reference

4TXS (English)