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

Details

Stereochemistry MIXED
Molecular Formula C40H78N2O4
Molecular Weight 651.0583
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIBUTYLDECYL ISOPHORONE DIISOCYANATE

SMILES

CCCCCCCCC(CCCC)COC(=O)NCC1(C)CC(CC(C)(C)C1)NC(=O)OCC(CCCC)CCCCCCCC

InChI

InChIKey=LYJHSFYLDITYPA-UHFFFAOYSA-N
InChI=1S/C40H78N2O4/c1-8-12-16-18-20-22-26-34(24-14-10-3)30-45-37(43)41-33-40(7)29-36(28-39(5,6)32-40)42-38(44)46-31-35(25-15-11-4)27-23-21-19-17-13-9-2/h34-36H,8-33H2,1-7H3,(H,41,43)(H,42,44)

HIDE SMILES / InChI

Molecular Formula C40H78N2O4
Molecular Weight 651.0583
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:02:19 GMT 2023
Edited
by admin
on Sat Dec 16 20:02:19 GMT 2023
Record UNII
CN772MJ74V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIBUTYLDECYL ISOPHORONE DIISOCYANATE
Common Name English
MONODERM I-14
Brand Name English
CARBAMIC ACID, (3-((((ISOTETRADECYLOXYL)CARBONYL)AMINO)METHYL)-3,5,5-TRIMETHYLCYCLOHEXYL)- ISOTETRADECYL ESTER
Common Name English
(±)-ISOTETRADECYL IPDI
Common Name English
DIBUTYLDECYL IPDI [INCI]
Common Name English
ISOTETRADECYL IPDI
Common Name English
DIBUTYLDECYL IPDI
INCI  
INCI  
Official Name English
ISOTETRADECYL IPDI, (±)-
Common Name English
Code System Code Type Description
PUBCHEM
72941748
Created by admin on Sat Dec 16 20:02:19 GMT 2023 , Edited by admin on Sat Dec 16 20:02:19 GMT 2023
PRIMARY
CAS
187951-30-0
Created by admin on Sat Dec 16 20:02:19 GMT 2023 , Edited by admin on Sat Dec 16 20:02:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID001021390
Created by admin on Sat Dec 16 20:02:19 GMT 2023 , Edited by admin on Sat Dec 16 20:02:19 GMT 2023
PRIMARY
FDA UNII
CN772MJ74V
Created by admin on Sat Dec 16 20:02:19 GMT 2023 , Edited by admin on Sat Dec 16 20:02:19 GMT 2023
PRIMARY