(Q27126996)

butyl pyrraline (English)

6 October 2016

chemical formula

C₁₀H₁₅NO₂

1 reference

butyl pyrraline (English)

6 October 2016

canonical SMILES

CCCCN1C(=CC=C1C=O)CO

1 reference

butyl pyrraline (English)

InChI=1S/C10H15NO2/c1-2-3-6-11-9(7-12)4-5-10(11)8-13/h4-5,7,13H,2-3,6,8H2,1H3

6 October 2016

Identifiers

InChI

1 reference

butyl pyrraline (English)

FNDGDKSOMNMMLY-UHFFFAOYSA-N

6 October 2016

InChIKey

2 references

butyl pyrraline (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-butylpyrraline (English)

6 October 2016

1 reference

1-Butyl-5-(hydroxymethyl)-1H-pyrrole-2-carbaldehyde (English)

6 October 2016

2 references

butyl pyrraline (English)

matched by identifier from

6 October 2016

InChIKey

FNDGDKSOMNMMLY-UHFFFAOYSA-N

Reaxys registry number

1527772

1 reference

1-butylpyrraline (English)

6 October 2016

ChEBI ID

59970

mapping relation type

2 references

1-butylpyrraline (English)

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C10H15NO2/c1-2-3-6-11-9(7-12)4-5-10(11)8-13/h4-5,7,13H,2-3,6,8H2,1H3

1 reference

2 references

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

matched by identifier from

InChIKey

FNDGDKSOMNMMLY-UHFFFAOYSA-N

DSSTOX compound identifier

0 references

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

136026