(Q27161371)

English

1-Nitrohexane

chemical compound

Nitrohexane

In more languages

default for all languages

No label defined

No description defined

edit

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

mass

131.094628656 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₆H₁₃NO₂

0 references

canonical SMILES

CCCCCC[N ](=O)[O-]

0 references

Identifiers

InChI

InChI=1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3

0 references

InChIKey

FEYJIFXFOHFGCC-UHFFFAOYSA-N

1 reference

stated in

ChEBI release 2020-09-01

2 references

language of work or name

English

title

1-Nitrohexane (English)

retrieved

9 October 2016

InChIKey

FEYJIFXFOHFGCC-UHFFFAOYSA-N

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=646-14-0

2 references

26 December 2021

matched by identifier from

InChIKey

FEYJIFXFOHFGCC-UHFFFAOYSA-N

ChEBI ID

89185

mapping relation type

2 references

language of work or name

English

title

1-Nitrohexane (English)

retrieved

9 October 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3

SureChEMBL ID

SCHEMBL264639

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FEYJIFXFOHFGCC-UHFFFAOYSA-N

1 reference

NMRShiftDB structure ID

20208977

1 reference

matched by identifier from

InChIKey

FEYJIFXFOHFGCC-UHFFFAOYSA-N

0 references

1 reference

matched by identifier from

InChIKey

FEYJIFXFOHFGCC-UHFFFAOYSA-N

DSSTOX compound identifier

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.010.426

retrieved

27 December 2018

title

1-nitrohexane (English)

quotation

CAS no.: 646-14-0 (English)

ECHA Substance Infocard ID

100.010.426

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.010.426

retrieved

20 December 2018

title

1-nitrohexane (English)

quotation

CAS no.: 646-14-0 (English)

Human Metabolome Database ID

0 references

2 references

inferred from InChIKey

matched by identifier from

InChIKey

FEYJIFXFOHFGCC-UHFFFAOYSA-N

UNII

18XLQ74WTH

1 reference

matched by identifier from

InChIKey

FEYJIFXFOHFGCC-UHFFFAOYSA-N

(Q27161371)

1-Nitrohexane

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)