2-METHYLPROPYL ISOCYANATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H9NO
Molecular Weight	99.1311
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-METHYLPROPYL ISOCYANATE

Structure Search

SMILES

CC(C)CN=C=O

InChI

InChIKey=NNZVKALEGZPYKL-UHFFFAOYSA-N

InChI=1S/C5H9NO/c1-5(2)3-6-4-7/h5H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C5H9NO
Molecular Weight	99.1311
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 19:26:03 GMT 2025` Edited by `admin` on `Tue Apr 01 19:26:03 GMT 2025`
Record UNII	69A68W7YAE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-METHYLPROPYL ISOCYANATE

Systematic Name

English

PROPANE, 1-ISOCYANATO-2-METHYL-

Preferred Name

English

ISOCYANATO-2-METHYLPROPANE

Common Name

English

ISOBUTYL ISOCYANATE

Common Name

English

1-ISOCYANATO-2-METHYLPROPANE

Systematic Name

English

Code System Code Type Description

CAS

1873-29-6

Created by admin on Tue Apr 01 19:26:03 GMT 2025 , Edited by admin on Tue Apr 01 19:26:03 GMT 2025

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EPA CompTox

DTXSID4075293

Created by admin on Tue Apr 01 19:26:03 GMT 2025 , Edited by admin on Tue Apr 01 19:26:03 GMT 2025

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FDA UNII

69A68W7YAE

Created by admin on Tue Apr 01 19:26:03 GMT 2025 , Edited by admin on Tue Apr 01 19:26:03 GMT 2025

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PUBCHEM

61281

Created by admin on Tue Apr 01 19:26:03 GMT 2025 , Edited by admin on Tue Apr 01 19:26:03 GMT 2025

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ECHA (EC/EINECS)

217-495-6

Created by admin on Tue Apr 01 19:26:03 GMT 2025 , Edited by admin on Tue Apr 01 19:26:03 GMT 2025

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