Allyl isocyanate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H5NO
Molecular Weight	83.0886
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Allyl isocyanate

Structure Search

SMILES

C=CCN=C=O

InChI

InChIKey=HXBPYFMVGFDZFT-UHFFFAOYSA-N

InChI=1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2

HIDE SMILES / InChI

Molecular Formula	C4H5NO
Molecular Weight	83.0886
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 12:48:48 GMT 2023` Edited by `admin` on `Sat Dec 16 12:48:48 GMT 2023`
Record UNII	DK4CJU9MCX
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Allyl isocyanate

Common Name

English

NSC-96964

Code

English

Isocyanic acid, allyl ester

Systematic Name

English

3-Isocyanatoprop-1-ene

Systematic Name

English

3-Isocyanato-1-propene

Systematic Name

English

1-Propene, 3-isocyanato-

Systematic Name

English

Code System Code Type Description

NSC

96964

Created by admin on Sat Dec 16 12:48:48 GMT 2023 , Edited by admin on Sat Dec 16 12:48:48 GMT 2023

PRIMARY

PUBCHEM

15123

Created by admin on Sat Dec 16 12:48:48 GMT 2023 , Edited by admin on Sat Dec 16 12:48:48 GMT 2023

PRIMARY

EPA CompTox

DTXSID8061719

Created by admin on Sat Dec 16 12:48:48 GMT 2023 , Edited by admin on Sat Dec 16 12:48:48 GMT 2023

PRIMARY

FDA UNII

DK4CJU9MCX

Created by admin on Sat Dec 16 12:48:48 GMT 2023 , Edited by admin on Sat Dec 16 12:48:48 GMT 2023

PRIMARY

CAS

1476-23-9

Created by admin on Sat Dec 16 12:48:48 GMT 2023 , Edited by admin on Sat Dec 16 12:48:48 GMT 2023

PRIMARY