1-BUTYLPYRROLE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H13N
Molecular Weight	123.1955
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-BUTYLPYRROLE

Structure Search

SMILES

CCCCN1C=CC=C1

InChI

InChIKey=IIYSNNBEZBAQCQ-UHFFFAOYSA-N

InChI=1S/C8H13N/c1-2-3-6-9-7-4-5-8-9/h4-5,7-8H,2-3,6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C8H13N
Molecular Weight	123.1955
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Title	Date	PubMed
An approach to helical tubular self-aggregation using C2-symmetric self-complementary hydrogen-bonding cavity molecules.	2006 Jun 28	16787092

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:33:07 GMT 2023` Edited by `admin` on `Fri Dec 15 19:33:07 GMT 2023`
Record UNII	G396OC7TFD
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-BUTYLPYRROLE

Systematic Name

English

N-BUTYLPYRROLE

Systematic Name

English

NSC-8456

Code

English

Code System Code Type Description

CAS

589-33-3

Created by admin on Fri Dec 15 19:33:07 GMT 2023 , Edited by admin on Fri Dec 15 19:33:07 GMT 2023

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ECHA (EC/EINECS)

209-642-8

Created by admin on Fri Dec 15 19:33:07 GMT 2023 , Edited by admin on Fri Dec 15 19:33:07 GMT 2023

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NSC

8456

Created by admin on Fri Dec 15 19:33:07 GMT 2023 , Edited by admin on Fri Dec 15 19:33:07 GMT 2023

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FDA UNII

G396OC7TFD

Created by admin on Fri Dec 15 19:33:07 GMT 2023 , Edited by admin on Fri Dec 15 19:33:07 GMT 2023

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PUBCHEM

68529

Created by admin on Fri Dec 15 19:33:07 GMT 2023 , Edited by admin on Fri Dec 15 19:33:07 GMT 2023

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EPA CompTox

DTXSID00207633

Created by admin on Fri Dec 15 19:33:07 GMT 2023 , Edited by admin on Fri Dec 15 19:33:07 GMT 2023

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