CAS 691-60-1

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Also known as: 1-isopropylurea, Propan-2-ylurea, Urea, (1-methylethyl)-, N-isopropylurea, Urea, isopropyl-, (1-methylethyl)urea

Molecular Formula

C₄H₁₀N₂O

Molecular Weight

102.14 g/mol

InChI Key

LZMATGARSSLFMQ-UHFFFAOYSA-N

FDA UNII

3G2GT415DH

Isopropylurea has been reported in Diptychocarpus strictus with data available.

1 2D Structure

CAS 691-60-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

propan-2-ylurea

2.1.2 InChI

InChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)

2.1.3 InChI Key

LZMATGARSSLFMQ-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

3G2GT415DH

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1-isopropylurea

2. Propan-2-ylurea

3. Urea, (1-methylethyl)-

4. N-isopropylurea

5. Urea, Isopropyl-

6. (1-methylethyl)urea

7. N-(1-methylethyl)urea

8. Urea, N-(1-methylethyl)-

9. Einecs 211-722-2

10. Nsc 14349

11. Brn 1743048

12. 3g2gt415dh

13. Ai3-52666

14. Nsc-14349

15. Unii-3g2gt415dh

16. Dtxsid8061002

17. 4-04-00-00521 (beilstein Handbook Reference)

18. Refchem:149868

19. Dtxcid3046455

20. 211-722-2

21. 691-60-1

22. Isopropyl-urea

23. Urea,n-(1-methylethyl)-

24. (propan-2-yl)urea

25. Mfcd00047875

26. N-propan-2-ylurea

27. Isopropyl Urea

28. Isopropylurea(mono)

29. Nsc14349

30. 1-(methylethyl)urea

31. N-(propan-2-yl)urea

32. Schembl24462

33. Schembl24463

34. Schembl1302184

35. Schembl1360791

36. Schembl2883995

37. Schembl7195013

38. Akos000116709

39. Fi34844

40. As-35333

41. Sy042963

42. Db-055233

43. Cs-0162822

44. Ns00036809

45. En300-03863

46. F101565

47. Z56887677

48. F8881-0428

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₁₀N₂O
Molecular Weight	102.14 g/mol
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	55.1
Heavy Atom Count	7
Formal Charge	0
Complexity	70.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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