Diisopropyl (cyanomethyl)phosphonate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H16NO3P
Molecular Weight	205.1913
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Diisopropyl (cyanomethyl)phosphonate

Structure Search

SMILES

CC(C)OP(=O)(CC#N)OC(C)C

InChI

InChIKey=MQDIIJHQSUNBKA-UHFFFAOYSA-N

InChI=1S/C8H16NO3P/c1-7(2)11-13(10,6-5-9)12-8(3)4/h7-8H,6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C8H16NO3P
Molecular Weight	205.1913
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:35:47 GMT 2025` Edited by `admin` on `Tue Apr 01 19:35:47 GMT 2025`
Record UNII	XK5YRB8PTC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Diisopropyl (cyanomethyl)phosphonate

Systematic Name

English

2-di(propan-2-yloxy)phosphorylacetonitrile

Preferred Name

English

Bis(1-methylethyl) P-(cyanomethyl)phosphonate

Systematic Name

English

Phosphonic acid, P-(cyanomethyl)-, bis(1-methylethyl) ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50176042

Created by admin on Tue Apr 01 19:35:47 GMT 2025 , Edited by admin on Tue Apr 01 19:35:47 GMT 2025

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FDA UNII

XK5YRB8PTC

Created by admin on Tue Apr 01 19:35:47 GMT 2025 , Edited by admin on Tue Apr 01 19:35:47 GMT 2025

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PUBCHEM

88997

Created by admin on Tue Apr 01 19:35:47 GMT 2025 , Edited by admin on Tue Apr 01 19:35:47 GMT 2025

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CAS

21658-95-7

Created by admin on Tue Apr 01 19:35:47 GMT 2025 , Edited by admin on Tue Apr 01 19:35:47 GMT 2025

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ECHA (EC/EINECS)

244-511-9

Created by admin on Tue Apr 01 19:35:47 GMT 2025 , Edited by admin on Tue Apr 01 19:35:47 GMT 2025

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