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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

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

TitleDatePubMed
An approach to helical tubular self-aggregation using C2-symmetric self-complementary hydrogen-bonding cavity molecules.
2006 Jun 28
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY