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Details

Stereochemistry ACHIRAL
Molecular Formula C13H15NO
Molecular Weight 201.2643
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-ISOPROPENYL-.ALPHA.,.ALPHA.-DIMETHYLBENZYL ISOCYANATE

SMILES

CC(=C)C1=CC=CC(=C1)C(C)(C)N=C=O

InChI

InChIKey=ZVEMLYIXBCTVOF-UHFFFAOYSA-N
InChI=1S/C13H15NO/c1-10(2)11-6-5-7-12(8-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3

HIDE SMILES / InChI

Molecular Formula C13H15NO
Molecular Weight 201.2643
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 Fri Dec 15 18:38:08 GMT 2023
Edited
by admin
on Fri Dec 15 18:38:08 GMT 2023
Record UNII
RY29G3V80M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-ISOPROPENYL-.ALPHA.,.ALPHA.-DIMETHYLBENZYL ISOCYANATE
Systematic Name English
3-ISOPROPENYLCUMYL ISOCYANATE
Systematic Name English
M-ISOPROPENYLCUMYL ISOCYANATE
Systematic Name English
1-(1-ISOCYANATO-1-METHYLETHYL)-3-(1-METHYLETHENYL)BENZENE
Systematic Name English
.ALPHA.,.ALPHA.-DIMETHYL-M-ISOPROPENYLBENZYL ISOCYANATE
Systematic Name English
ISOCYANIC ACID, M-ISOPROPENYL-.ALPHA.,.ALPHA.-DIMETHYLBENZYL ESTER
Common Name English
1-(1-ISOCYANATO-1-METHYLETHYL)-3-ISOPROPENYLBENZENE
Systematic Name English
3-ISOPROPENYL-.ALPHA.,.ALPHA.'-DIMETHYLBENZYL ISOCYANATE
Common Name English
1-(2-ISOCYANATOPROPAN-2-YL)-3-(PROP-1-EN-2-YL)BENZENE
Systematic Name English
DIMETHYL-M-ISOPROPENYLBENZYL ISOCYANATE
Systematic Name English
BENZENE, 1-(1-ISOCYANATO-1-METHYLETHYL)-3-(1-METHYLETHENYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID9044871
Created by admin on Fri Dec 15 18:38:08 GMT 2023 , Edited by admin on Fri Dec 15 18:38:08 GMT 2023
PRIMARY
FDA UNII
RY29G3V80M
Created by admin on Fri Dec 15 18:38:08 GMT 2023 , Edited by admin on Fri Dec 15 18:38:08 GMT 2023
PRIMARY
PUBCHEM
604152
Created by admin on Fri Dec 15 18:38:08 GMT 2023 , Edited by admin on Fri Dec 15 18:38:08 GMT 2023
PRIMARY
CAS
2094-99-7
Created by admin on Fri Dec 15 18:38:08 GMT 2023 , Edited by admin on Fri Dec 15 18:38:08 GMT 2023
PRIMARY