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Also known as: 17526-94-2, 3,3'-(4-methylbenzene-1,3-diyl)bis(1,1-dimethylurea), 3-[3-(dimethylcarbamoylamino)-4-methylphenyl]-1,1-dimethylurea, 22x7s855o6, Nsc-375994, 3,3'-(4-methyl-1,3-phenylene) bis (1,1-dimethylurea)
Molecular Formula
C13H20N4O2
Molecular Weight
264.32  g/mol
InChI Key
KDQTUCKOAOGTLT-UHFFFAOYSA-N
FDA UNII
22X7S855O6

CAS 17526-94-2
1 2D Structure

CAS 17526-94-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[3-(dimethylcarbamoylamino)-4-methylphenyl]-1,1-dimethylurea
2.1.2 InChI
InChI=1S/C13H20N4O2/c1-9-6-7-10(14-12(18)16(2)3)8-11(9)15-13(19)17(4)5/h6-8H,1-5H3,(H,14,18)(H,15,19)
2.1.3 InChI Key
KDQTUCKOAOGTLT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=C(C=C1)NC(=O)N(C)C)NC(=O)N(C)C
2.2 Other Identifiers
2.2.1 UNII
22X7S855O6
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 17526-94-2

2. 3,3'-(4-methylbenzene-1,3-diyl)bis(1,1-dimethylurea)

3. 3-[3-(dimethylcarbamoylamino)-4-methylphenyl]-1,1-dimethylurea

4. 22x7s855o6

5. Nsc-375994

6. 3,3'-(4-methyl-1,3-phenylene) Bis (1,1-dimethylurea)

7. Urea, N,n''-(4-methyl-1,3-phenylene)bis(n',n'-dimethyl-

8. N,n''-(4-methyl-1,3-phenylene)bis(n',n'-dimethylurea)

9. 3,3'-(4-methyl-1,3-phenylene) Bis(1,1-dimethylurea)

10. 3,3/'-(4-methyl-1,3-phenylene) Bis (1,1-dimethylurea)

11. N,n''-(4-methyl-1,3-phenylene)bis[n',n'-dimethylurea]

12. Unii-22x7s855o6

13. Einecs 241-523-6

14. 2,4-bis(3,3-dimethylureido)toluene

15. Nsc375994

16. Nsc 375994

17. Ec 241-523-6

18. Dsstox_cid_24606

19. Dsstox_rid_80346

20. Dsstox_gsid_44606

21. Schembl138240

22. Chembl3186043

23. Dtxsid0044606

24. Urea,n,n''-(4-methyl-1,3-phenylene)bis[n',n'-dimethyl-

25. Zinc395074

26. Amy28670

27. Tox21_302673

28. U 410m

29. Akos015961000

30. Ncgc00256865-01

31. Ac-12734

32. As-75554

33. Cas-17526-94-2

34. Cs-0448453

35. Ft-0726230

36. 2,4-tolylenebis(n',n'-dimethylurea)

37. 2,4-bis(dimethylaminocarbonylamino)toluene

38. N,n'-bis(dimethylcarbamoyl)-2,4-toluidine

39. 1,1'-(4-methyl-m-phenylene)bis(3,3-dimethylurea)

40. 1,-(4-methyl-1,3-phenylene)bis(3,3-dimethylurea)

41. Q27253683

42. N,n''-(4-methyl-m-phenylene)bis(n',n'-dimethylurea)

43. 1,1'-(4-methyl-m-phenylene)bis(3,3'-dimethylurea)

44. N,n-(4-methyl-1,3-phenylene) Bis(n',n'-dimethylurea)

45. Urea, 1,1'-(4-methyl-m-phenylene)bis(3,3-dimethyl-

46. 3-(5-(dimethylcarbamoylamino)-2-methylphenyl)-1,1-dimethyl Urea

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 264.32 g/mol
Molecular Formula C13H20N4O2
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass264.15862589 g/mol
Monoisotopic Mass264.15862589 g/mol
Topological Polar Surface Area64.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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3,5-Bis 2-cyano isopropyl toluene

CAS Number : 120511-72-0

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About the Company : Innovassynth Technologies (I) Ltd. formerly known as Chemicals Division of Indian Organic Chemicals Ltd. came in to existence since 1st August 2002. It is a part of the well-known busin...

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