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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H11NO3
Molecular Weight 157.1671
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BUTYL ISOCYANATOACETATE

SMILES

CCCCOC(=O)CN=C=O

InChI

InChIKey=RMZSOGJUEUFCBK-UHFFFAOYSA-N
InChI=1S/C7H11NO3/c1-2-3-4-11-7(10)5-8-6-9/h2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula C7H11NO3
Molecular Weight 157.1671
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:32:51 GMT 2023
Edited
by admin
on Sat Dec 16 12:32:51 GMT 2023
Record UNII
CVM3W9Q955
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYL ISOCYANATOACETATE
Systematic Name English
NSC-518681
Code English
(BUTOXYCARBONYL)METHYL ISOCYANATE
Systematic Name English
ACETIC ACID, ISOCYANATO-, BUTYL ESTER
Common Name English
ACETIC ACID, 2-ISOCYANATO-, BUTYL ESTER
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
241-114-2
Created by admin on Sat Dec 16 12:32:51 GMT 2023 , Edited by admin on Sat Dec 16 12:32:51 GMT 2023
PRIMARY
PUBCHEM
86921
Created by admin on Sat Dec 16 12:32:51 GMT 2023 , Edited by admin on Sat Dec 16 12:32:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID1066152
Created by admin on Sat Dec 16 12:32:51 GMT 2023 , Edited by admin on Sat Dec 16 12:32:51 GMT 2023
PRIMARY
NSC
518681
Created by admin on Sat Dec 16 12:32:51 GMT 2023 , Edited by admin on Sat Dec 16 12:32:51 GMT 2023
PRIMARY
CAS
17046-22-9
Created by admin on Sat Dec 16 12:32:51 GMT 2023 , Edited by admin on Sat Dec 16 12:32:51 GMT 2023
PRIMARY
FDA UNII
CVM3W9Q955
Created by admin on Sat Dec 16 12:32:51 GMT 2023 , Edited by admin on Sat Dec 16 12:32:51 GMT 2023
PRIMARY