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Details

Stereochemistry RACEMIC
Molecular Formula C10H14N2O2
Molecular Weight 194.2304
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, TRANS-

SMILES

O=C=NC[C@@H]1CCC[C@@H](CN=C=O)C1

InChI

InChIKey=XSCLFFBWRKTMTE-NXEZZACHSA-N
InChI=1S/C10H14N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h9-10H,1-6H2/t9-,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H14N2O2
Molecular Weight 194.2304
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:25:28 GMT 2025
Edited
by admin
on Tue Apr 01 16:25:28 GMT 2025
Record UNII
650E1G80M0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, TRANS-
Systematic Name English
ISOCYANIC ACID, 1,3-CYCLOHEXYLENEDIMETHYLENE ESTER, TRANS-
Preferred Name English
1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, TRANS-(±)-
Systematic Name English
CYCLOHEXANE, 1,3-BIS(ISOCYANATOMETHYL)-, (1R,3R)-REL-
Systematic Name English
Code System Code Type Description
CAS
10339-96-5
Created by admin on Tue Apr 01 16:25:28 GMT 2025 , Edited by admin on Tue Apr 01 16:25:28 GMT 2025
PRIMARY
PUBCHEM
87195035
Created by admin on Tue Apr 01 16:25:28 GMT 2025 , Edited by admin on Tue Apr 01 16:25:28 GMT 2025
PRIMARY
FDA UNII
650E1G80M0
Created by admin on Tue Apr 01 16:25:28 GMT 2025 , Edited by admin on Tue Apr 01 16:25:28 GMT 2025
PRIMARY