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Details

Stereochemistry ACHIRAL
Molecular Formula C13H17NO
Molecular Weight 203.2802
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2,6-DIISOPROPYLPHENYL ISOCYANATE

SMILES

CC(C)C1=CC=CC(C(C)C)=C1N=C=O

InChI

InChIKey=FEUFNKALUGDEMQ-UHFFFAOYSA-N
InChI=1S/C13H17NO/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3

HIDE SMILES / InChI

Molecular Formula C13H17NO
Molecular Weight 203.2802
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 11:20:07 GMT 2023
Edited
by admin
on Sat Dec 16 11:20:07 GMT 2023
Record UNII
9F3446A37P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-DIISOPROPYLPHENYL ISOCYANATE
Systematic Name English
BENZENE, 2-ISOCYANATO-1,3-BIS(1-METHYLETHYL)-
Systematic Name English
BENZENE, 1,3-BIS(1-METHYLETHYL)-2-ISOCYANATO-
Systematic Name English
1,3-BIS(1-METHYLETHYL)-2-ISOCYANATOBENZENE
Systematic Name English
ISOCYANIC ACID, 2,6-DIISOPROPYLPHENYL ESTER
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
248-885-4
Created by admin on Sat Dec 16 11:20:07 GMT 2023 , Edited by admin on Sat Dec 16 11:20:07 GMT 2023
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FDA UNII
9F3446A37P
Created by admin on Sat Dec 16 11:20:07 GMT 2023 , Edited by admin on Sat Dec 16 11:20:07 GMT 2023
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CAS
28178-42-9
Created by admin on Sat Dec 16 11:20:07 GMT 2023 , Edited by admin on Sat Dec 16 11:20:07 GMT 2023
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EPA CompTox
DTXSID9051959
Created by admin on Sat Dec 16 11:20:07 GMT 2023 , Edited by admin on Sat Dec 16 11:20:07 GMT 2023
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PUBCHEM
92259
Created by admin on Sat Dec 16 11:20:07 GMT 2023 , Edited by admin on Sat Dec 16 11:20:07 GMT 2023
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