HEXYL ISOCYANATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H13NO
Molecular Weight	127.1842
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of HEXYL ISOCYANATE

Structure Search

SMILES

CCCCCCN=C=O

InChI

InChIKey=ANJPRQPHZGHVQB-UHFFFAOYSA-N

InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C7H13NO
Molecular Weight	127.1842
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 18:54:06 GMT 2023` Edited by `admin` on `Sat Dec 16 18:54:06 GMT 2023`
Record UNII	K9T9YK3VJU
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

HEXYL ISOCYANATE

Common Name

English

1-HEXYL ISOCYANATE

Systematic Name

English

N-HEXYL ISOCYANATE

Systematic Name

English

1-ISOCYANATOHEXANE

Systematic Name

English

HEXANE, 1-ISOCYANATO-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

219-763-8

Created by admin on Sat Dec 16 18:54:06 GMT 2023 , Edited by admin on Sat Dec 16 18:54:06 GMT 2023

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EPA CompTox

DTXSID8062492

Created by admin on Sat Dec 16 18:54:06 GMT 2023 , Edited by admin on Sat Dec 16 18:54:06 GMT 2023

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CAS

2525-62-4

Created by admin on Sat Dec 16 18:54:06 GMT 2023 , Edited by admin on Sat Dec 16 18:54:06 GMT 2023

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PUBCHEM

75659

Created by admin on Sat Dec 16 18:54:06 GMT 2023 , Edited by admin on Sat Dec 16 18:54:06 GMT 2023

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FDA UNII

K9T9YK3VJU

Created by admin on Sat Dec 16 18:54:06 GMT 2023 , Edited by admin on Sat Dec 16 18:54:06 GMT 2023

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