2-Heptyl-3,4-bis(9-isocyanatononyl)-1-pentylcyclohexane

Details

Stereochemistry	MIXED
Molecular Formula	C38H70N2O2
Molecular Weight	586.9746
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 4
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 2-Heptyl-3,4-bis(9-isocyanatononyl)-1-pentylcyclohexane

Structure Search

SMILES

CCCCCCCC1C(CCCCC)CCC(CCCCCCCCCN=C=O)C1CCCCCCCCCN=C=O

InChI

InChIKey=AMUBKBXGFDIMDJ-UHFFFAOYSA-N

InChI=1S/C38H70N2O2/c1-3-5-7-14-21-27-37-35(25-19-6-4-2)29-30-36(26-20-15-10-8-12-17-23-31-39-33-41)38(37)28-22-16-11-9-13-18-24-32-40-34-42/h35-38H,3-32H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C38H70N2O2
Molecular Weight	586.9746
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 4
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:34:10 GMT 2025` Edited by `admin` on `Wed Apr 02 19:34:10 GMT 2025`
Record UNII	LHN5NJ2349
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Dimeryl diisocyanate

Preferred Name

English

2-Heptyl-3,4-bis(9-isocyanatononyl)-1-pentylcyclohexane

Systematic Name

English

Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl-

Systematic Name

English

Code System Code Type Description

FDA UNII

LHN5NJ2349

Created by admin on Wed Apr 02 19:34:10 GMT 2025 , Edited by admin on Wed Apr 02 19:34:10 GMT 2025

PRIMARY

CAS

68239-06-5

Created by admin on Wed Apr 02 19:34:10 GMT 2025 , Edited by admin on Wed Apr 02 19:34:10 GMT 2025

PRIMARY

EPA CompTox

DTXSID90867543

Created by admin on Wed Apr 02 19:34:10 GMT 2025 , Edited by admin on Wed Apr 02 19:34:10 GMT 2025

PRIMARY

PUBCHEM

109248

Created by admin on Wed Apr 02 19:34:10 GMT 2025 , Edited by admin on Wed Apr 02 19:34:10 GMT 2025

PRIMARY