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Details

Stereochemistry RACEMIC
Molecular Formula C11H17N3O2
Molecular Weight 223.2716
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((2-(1-NITROETHYL)PHENYL)METHYL)-1,2-ETHANEDIAMINE

SMILES

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

InChI

InChIKey=COLDCYHZWGSLEJ-UHFFFAOYSA-N
InChI=1S/C11H17N3O2/c1-9(14(15)16)11-5-3-2-4-10(11)8-13-7-6-12/h2-5,9,13H,6-8,12H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H17N3O2
Molecular Weight 223.2716
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:37:16 GMT 2023
Edited
by admin
on Sat Dec 16 11:37:16 GMT 2023
Record UNII
8A9BY0MJ7C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-((2-(1-NITROETHYL)PHENYL)METHYL)-1,2-ETHANEDIAMINE
Systematic Name English
1,2-ETHANEDIAMINE, N1-((2-(1-NITROETHYL)PHENYL)METHYL)-
Systematic Name English
Code System Code Type Description
CAS
573720-46-4
Created by admin on Sat Dec 16 11:37:16 GMT 2023 , Edited by admin on Sat Dec 16 11:37:16 GMT 2023
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FDA UNII
8A9BY0MJ7C
Created by admin on Sat Dec 16 11:37:16 GMT 2023 , Edited by admin on Sat Dec 16 11:37:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID40866329
Created by admin on Sat Dec 16 11:37:16 GMT 2023 , Edited by admin on Sat Dec 16 11:37:16 GMT 2023
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PUBCHEM
65508
Created by admin on Sat Dec 16 11:37:16 GMT 2023 , Edited by admin on Sat Dec 16 11:37:16 GMT 2023
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Related Record Type Details
SALT/SOLVATE -> PARENT