U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C4H6
Molecular Weight 54.0904
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-BUTADIENE

SMILES

C=CC=C

InChI

InChIKey=KAKZBPTYRLMSJV-UHFFFAOYSA-N
InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2

HIDE SMILES / InChI
Molecular Formula C4H6
Molecular Weight 54.0904
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:32:25 UTC 2023
Edited
by admin
on Fri Dec 15 18:32:25 UTC 2023
Record UNII
JSD5FGP5VD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-BUTADIENE
HSDB   MI  
Systematic Name English
BUTADIENE [INCI]
Common Name English
1,3-BUTADIENE [IARC]
Common Name English
.ALPHA.,.GAMMA.-BUTADIENE
Systematic Name English
NCI-C50602
Code English
BUTADIENE
Systematic Name English
ERYTHRENE
Systematic Name English
BIETHYLENE
Common Name English
DIVINYL
Common Name English
1,3-BUTADIENE [MI]
Common Name English
BUTADIENE, 1,3-
Systematic Name English
VINYLETHYLENE
Systematic Name English
1,3-BUTADIENE [HSDB]
Common Name English
BIVINYL
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C44351
Created by admin on Fri Dec 15 18:32:25 UTC 2023 , Edited by admin on Fri Dec 15 18:32:25 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
203-450-8
Created by admin on Fri Dec 15 18:32:25 UTC 2023 , Edited by admin on Fri Dec 15 18:32:25 UTC 2023
PRIMARY
CHEBI
39479
Created by admin on Fri Dec 15 18:32:25 UTC 2023 , Edited by admin on Fri Dec 15 18:32:25 UTC 2023
PRIMARY
PUBCHEM
7845
Created by admin on Fri Dec 15 18:32:25 UTC 2023 , Edited by admin on Fri Dec 15 18:32:25 UTC 2023
PRIMARY
NCI_THESAURUS
C29790
Created by admin on Fri Dec 15 18:32:25 UTC 2023 , Edited by admin on Fri Dec 15 18:32:25 UTC 2023
PRIMARY
WIKIPEDIA
1,3-BUTADIENE
Created by admin on Fri Dec 15 18:32:25 UTC 2023 , Edited by admin on Fri Dec 15 18:32:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID3020203
Created by admin on Fri Dec 15 18:32:25 UTC 2023 , Edited by admin on Fri Dec 15 18:32:25 UTC 2023
PRIMARY
MERCK INDEX
m2782
Created by admin on Fri Dec 15 18:32:25 UTC 2023 , Edited by admin on Fri Dec 15 18:32:25 UTC 2023
PRIMARY Merck Index
FDA UNII
JSD5FGP5VD
Created by admin on Fri Dec 15 18:32:25 UTC 2023 , Edited by admin on Fri Dec 15 18:32:25 UTC 2023
PRIMARY
CAS
106-99-0
Created by admin on Fri Dec 15 18:32:25 UTC 2023 , Edited by admin on Fri Dec 15 18:32:25 UTC 2023
PRIMARY
CHEBI
39478
Created by admin on Fri Dec 15 18:32:25 UTC 2023 , Edited by admin on Fri Dec 15 18:32:25 UTC 2023
PRIMARY
HSDB
181
Created by admin on Fri Dec 15 18:32:25 UTC 2023 , Edited by admin on Fri Dec 15 18:32:25 UTC 2023
PRIMARY
RXCUI
2548035
Created by admin on Fri Dec 15 18:32:25 UTC 2023 , Edited by admin on Fri Dec 15 18:32:25 UTC 2023
PRIMARY
Related Record Type Details
CYTOCHROME P450 2A6
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
Structure of 1-HYDROXY-2-BUTANONE
METABOLITE -> PARENT
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966