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Details

Stereochemistry RACEMIC
Molecular Formula C9H13BrN2O2.C2H7N
Molecular Weight 306.199
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BROMACIL DIMETHYLAMMONIUM

SMILES

CNC.CCC(C)N1C(=O)NC(C)=C(Br)C1=O

InChI

InChIKey=VWQXSGUWVIZRBK-UHFFFAOYSA-N
InChI=1S/C9H13BrN2O2.C2H7N/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14;1-3-2/h5H,4H2,1-3H3,(H,11,14);3H,1-2H3

HIDE SMILES / InChI

Molecular Formula C2H7N
Molecular Weight 45.0837
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H13BrN2O2
Molecular Weight 261.116
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 07:55:45 GMT 2023
Edited
by admin
on Sat Dec 16 07:55:45 GMT 2023
Record UNII
21016LDQ53
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BROMACIL DIMETHYLAMMONIUM
Common Name English
2,4(1H,3H)-PYRIMIDINEDIONE, 5-BROMO-6-METHYL-3-(1-METHYLPROPYL)-, COMPD. WITH N-METHYLMETHANAMINE (1:1)
Systematic Name English
5-BROMO-6-METHYL-3-(1-METHYLPROPYL)-2,4(1H,3H)-PYRIMIDINEDIONE N-METHYLMETHANAMINE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID7058460
Created by admin on Sat Dec 16 07:55:45 GMT 2023 , Edited by admin on Sat Dec 16 07:55:45 GMT 2023
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FDA UNII
21016LDQ53
Created by admin on Sat Dec 16 07:55:45 GMT 2023 , Edited by admin on Sat Dec 16 07:55:45 GMT 2023
PRIMARY
CAS
69484-13-5
Created by admin on Sat Dec 16 07:55:45 GMT 2023 , Edited by admin on Sat Dec 16 07:55:45 GMT 2023
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PUBCHEM
86278206
Created by admin on Sat Dec 16 07:55:45 GMT 2023 , Edited by admin on Sat Dec 16 07:55:45 GMT 2023
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