1-Isocyanatododecane

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H25NO
Molecular Weight	211.3437
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 1-Isocyanatododecane

Structure Search

SMILES

CCCCCCCCCCCCN=C=O

InChI

InChIKey=YIDSTEJLDQMWBR-UHFFFAOYSA-N

InChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h2-12H2,1H3

HIDE SMILES / InChI

Molecular Formula	C13H25NO
Molecular Weight	211.3437
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 `Tue Apr 01 20:37:15 GMT 2025` Edited by `admin` on `Tue Apr 01 20:37:15 GMT 2025`
Record UNII	MN9EK69XA2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Dodecane, 1-isocyanato-

Preferred Name

English

1-Isocyanatododecane

Systematic Name

English

Code System Code Type Description

FDA UNII

MN9EK69XA2

Created by admin on Tue Apr 01 20:37:15 GMT 2025 , Edited by admin on Tue Apr 01 20:37:15 GMT 2025

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EPA CompTox

DTXSID6063351

Created by admin on Tue Apr 01 20:37:15 GMT 2025 , Edited by admin on Tue Apr 01 20:37:15 GMT 2025

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PUBCHEM

77873

Created by admin on Tue Apr 01 20:37:15 GMT 2025 , Edited by admin on Tue Apr 01 20:37:15 GMT 2025

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ECHA (EC/EINECS)

224-111-0

Created by admin on Tue Apr 01 20:37:15 GMT 2025 , Edited by admin on Tue Apr 01 20:37:15 GMT 2025

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CAS

4202-38-4

Created by admin on Tue Apr 01 20:37:15 GMT 2025 , Edited by admin on Tue Apr 01 20:37:15 GMT 2025

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