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

Details

Stereochemistry RACEMIC
Molecular Formula C20H34N4O6
Molecular Weight 426.5072
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of (6-ISOCYANATOHEXYL)CARBAMIC ACID, 1-METHYL-1,3-PROPANEDIYL ESTER

SMILES

CC(CCOC(=O)NCCCCCCN=C=O)OC(=O)NCCCCCCN=C=O

InChI

InChIKey=SVPFDNPUJDUJAX-UHFFFAOYSA-N
InChI=1S/C20H34N4O6/c1-18(30-20(28)24-14-9-5-3-7-12-22-17-26)10-15-29-19(27)23-13-8-4-2-6-11-21-16-25/h18H,2-15H2,1H3,(H,23,27)(H,24,28)

HIDE SMILES / InChI

Approval Year

Name Type Language
CARBAMIC ACID, (6-ISOCYANATOHEXYL)-, 1-METHYL-1,3-PROPANEDIYL ESTER
Preferred Name English
(6-ISOCYANATOHEXYL)CARBAMIC ACID, 1-METHYL-1,3-PROPANEDIYL ESTER
Common Name English
1-METHYL-1,3-PROPANEDIYLBIS((6-ISOCYANATOHEXYL)CARBAMATE)
Systematic Name English
Code System Code Type Description
FDA UNII
NC1SH9X3ZH
Created by admin on Mon Mar 31 21:51:42 GMT 2025 , Edited by admin on Mon Mar 31 21:51:42 GMT 2025
PRIMARY
PUBCHEM
72941810
Created by admin on Mon Mar 31 21:51:42 GMT 2025 , Edited by admin on Mon Mar 31 21:51:42 GMT 2025
PRIMARY
CAS
359013-50-6
Created by admin on Mon Mar 31 21:51:42 GMT 2025 , Edited by admin on Mon Mar 31 21:51:42 GMT 2025
PRIMARY