N-((2-(1-NITROETHYL)PHENYL)METHYL)-1,2-ETHANEDIAMINE POTASSIUM

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Details

Stereochemistry	RACEMIC
Molecular Formula	C11H16N3O2.K
Molecular Weight	261.3619
Optical Activity	( + / - )
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-((2-(1-NITROETHYL)PHENYL)METHYL)-1,2-ETHANEDIAMINE POTASSIUM

Structure Search

SMILES

[K+].C[C-](C1=C(CNCCN)C=CC=C1)[N+]([O-])=O

InChI

InChIKey=BOCFJPHINCXGHD-UHFFFAOYSA-N

InChI=1S/C11H16N3O2.K/c1-9(14(15)16)11-5-3-2-4-10(11)8-13-7-6-12;/h2-5,13H,6-8,12H2,1H3;/q-1;+1

HIDE SMILES / InChI

Molecular Formula	K
Molecular Weight	39.0983
Charge	1
Count

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

Molecular Formula	C11H16N3O2
Molecular Weight	222.2636
Charge	-1
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 10:53:30 GMT 2023` Edited by `admin` on `Sat Dec 16 10:53:30 GMT 2023`
Record UNII	618NPO285U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-((2-(1-NITROETHYL)PHENYL)METHYL)-1,2-ETHANEDIAMINE POTASSIUM

Systematic Name

English

EPA PESTICIDE CHEMICAL CODE 101301

Common Name

English

METASOL J 26

Brand Name

English

1,2-ETHANEDIAMINE, N1-((2-(1-NITROETHYL)PHENYL)METHYL)-, POTASSIUM SALT (1:1)

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

101301

Created by admin on Sat Dec 16 10:53:30 GMT 2023 , Edited by admin on Sat Dec 16 10:53:30 GMT 2023

Code System Code Type Description

FDA UNII

618NPO285U

Created by admin on Sat Dec 16 10:53:30 GMT 2023 , Edited by admin on Sat Dec 16 10:53:30 GMT 2023

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CAS

53404-62-9

Created by admin on Sat Dec 16 10:53:30 GMT 2023 , Edited by admin on Sat Dec 16 10:53:30 GMT 2023

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EPA CompTox

DTXSID90895821

Created by admin on Sat Dec 16 10:53:30 GMT 2023 , Edited by admin on Sat Dec 16 10:53:30 GMT 2023

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PUBCHEM

139032866

Created by admin on Sat Dec 16 10:53:30 GMT 2023 , Edited by admin on Sat Dec 16 10:53:30 GMT 2023

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Related Record Type Details


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N-((2-(1-NITROETHYL)PHENYL)METHYL)-1,2-ETHANEDIAMINE

PARENT -> SALT/SOLVATE