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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14N2O5.C4H12N2O
Molecular Weight 370.4008
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMINOETHYLETHANOLAMINE 2-CYCLOHEXYL-4,6-DINITROPHENOLATE

SMILES

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

InChI

InChIKey=JJRMLAKSOZWGGN-UHFFFAOYSA-N
InChI=1S/C12H14N2O5.C4H12N2O/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19;5-1-2-6-3-4-7/h6-8,15H,1-5H2;6-7H,1-5H2

HIDE SMILES / InChI

Molecular Formula C4H12N2O
Molecular Weight 104.1509
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
KPJ22MG503
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMINOETHYLETHANOLAMINE 2-CYCLOHEXYL-4,6-DINITROPHENOLATE
Common Name English
2-CYCLOHEXYL-4,6-DINITROPHENOL AMINOETHYLETHANOLAMINE SALT (1:1)
Systematic Name English
2-CYCLOHEXYL-4,6-DINITROPHENOL AMINOETHYLETHANOLAMINE
Systematic Name English
PHENOL, 2-CYCLOHEXYL-4,6-DINITRO-, COMPD. WITH 2-((2-AMINOETHYL)AMINO)ETHANOL (1:1)
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 391300
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
EPA CompTox
DTXSID10897120
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
KPJ22MG503
Created by admin on Sat Dec 16 10:06:14 GMT 2023 , Edited by admin on Sat Dec 16 10:06:14 GMT 2023
PRIMARY
CAS
69632-97-9
Created by admin on Sat Dec 16 10:06:14 GMT 2023 , Edited by admin on Sat Dec 16 10:06:14 GMT 2023
PRIMARY
PUBCHEM
76963485
Created by admin on Sat Dec 16 10:06:14 GMT 2023 , Edited by admin on Sat Dec 16 10:06:14 GMT 2023
PRIMARY