TRIETHANOLAMINE 2-CYCLOHEXYL-4,6-DINITROPHENOLATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H14N2O5.C6H15NO3
Molecular Weight	415.4382
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TRIETHANOLAMINE 2-CYCLOHEXYL-4,6-DINITROPHENOLATE

Structure Search

SMILES

OCCN(CCO)CCO.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C2CCCCC2

InChI

InChIKey=RANOIFVWIPJKSN-UHFFFAOYSA-N

InChI=1S/C12H14N2O5.C6H15NO3/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19;8-4-1-7(2-5-9)3-6-10/h6-8,15H,1-5H2;8-10H,1-6H2

HIDE SMILES / InChI

Molecular Formula	C6H15NO3
Molecular Weight	149.1882
Charge	0
Count

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

Molecular Formula	C12H14N2O5
Molecular Weight	266.25
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 `Sat Dec 16 10:06:14 GMT 2023` Edited by `admin` on `Sat Dec 16 10:06:14 GMT 2023`
Record UNII	N2TK31JIAH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIETHANOLAMINE 2-CYCLOHEXYL-4,6-DINITROPHENOLATE

Systematic Name

English

2-CYCLOHEXYL-4,6-DINITROPHENOL TRIETHANOLAMINE

Systematic Name

English

PHENOL, 2-CYCLOHEXYL-4,6-DINITRO-, COMPD. WITH 2,2',2''-NITRILOTRIS(ETHANOL) (1:1)

Systematic Name

English

2-CYCLOHEXYL-4,6-DINITROPHENOL TRIETHANOLAMINE SALT

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

391500

Created by admin on Sat Dec 16 10:06:14 GMT 2023 , Edited by admin on Sat Dec 16 10:06:14 GMT 2023

Code System Code Type Description

PUBCHEM

76966938

Created by admin on Sat Dec 16 10:06:14 GMT 2023 , Edited by admin on Sat Dec 16 10:06:14 GMT 2023

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FDA UNII

N2TK31JIAH

Created by admin on Sat Dec 16 10:06:14 GMT 2023 , Edited by admin on Sat Dec 16 10:06:14 GMT 2023

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EPA CompTox

DTXSID90897123

Created by admin on Sat Dec 16 10:06:14 GMT 2023 , Edited by admin on Sat Dec 16 10:06:14 GMT 2023

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RXCUI

1552576

Created by admin on Sat Dec 16 10:06:14 GMT 2023 , Edited by admin on Sat Dec 16 10:06:14 GMT 2023

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RxNorm

DAILYMED

N2TK31JIAH

Created by admin on Sat Dec 16 10:06:14 GMT 2023 , Edited by admin on Sat Dec 16 10:06:14 GMT 2023

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CAS

69632-98-0

Created by admin on Sat Dec 16 10:06:14 GMT 2023 , Edited by admin on Sat Dec 16 10:06:14 GMT 2023

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