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Details

Stereochemistry ACHIRAL
Molecular Formula C13H19N3O5
Molecular Weight 297.3071
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((1-ETHYLPROPYL)AMINO)-6-METHYL-2,4-DINITROBENZYL ALCOHOL

SMILES

CCC(CC)NC1=C(C(CO)=C(C)C=C1[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=PWAQEHCXAVLWPS-UHFFFAOYSA-N
InChI=1S/C13H19N3O5/c1-4-9(5-2)14-12-11(15(18)19)6-8(3)10(7-17)13(12)16(20)21/h6,9,14,17H,4-5,7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H19N3O5
Molecular Weight 297.3071
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 Fri Dec 15 18:35:55 GMT 2023
Edited
by admin
on Fri Dec 15 18:35:55 GMT 2023
Record UNII
6T6P7DQ49H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((1-ETHYLPROPYL)AMINO)-6-METHYL-2,4-DINITROBENZYL ALCOHOL
Systematic Name English
BENZENEMETHANOL, 3-((1-ETHYLPROPYL)AMINO)-6-METHYL-2,4-DINITRO-
Systematic Name English
Code System Code Type Description
CAS
76302-70-0
Created by admin on Fri Dec 15 18:35:55 GMT 2023 , Edited by admin on Fri Dec 15 18:35:55 GMT 2023
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FDA UNII
6T6P7DQ49H
Created by admin on Fri Dec 15 18:35:55 GMT 2023 , Edited by admin on Fri Dec 15 18:35:55 GMT 2023
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PUBCHEM
156688
Created by admin on Fri Dec 15 18:35:55 GMT 2023 , Edited by admin on Fri Dec 15 18:35:55 GMT 2023
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EPA CompTox
DTXSID00227179
Created by admin on Fri Dec 15 18:35:55 GMT 2023 , Edited by admin on Fri Dec 15 18:35:55 GMT 2023
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