03970_FLUKA

Synopsis, Chemistry

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Also known as: 625-52-5, 1-ethylurea, N-ethylurea, Urea, ethyl-, Polyurethane, Urea, 1-ethyl-

Molecular Formula

C₃H₈N₂O

Molecular Weight

88.11 g/mol

InChI Key

RYECOJGRJDOGPP-UHFFFAOYSA-N

FDA UNII

7K14B03X18

1 2D Structure

03970_FLUKA

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethylurea

2.1.2 InChI

InChI=1S/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)

2.1.3 InChI Key

RYECOJGRJDOGPP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCNC(=O)N

2.2 Other Identifiers

2.2.1 UNII

7K14B03X18

2.3 Synonyms

2.3.1 MeSH Synonyms

1. N-ethylurea

2.3.2 Depositor-Supplied Synonyms

1. 625-52-5

2. 1-ethylurea

3. N-ethylurea

4. Urea, Ethyl-

5. Polyurethane

6. Urea, 1-ethyl-

7. Ethyl Urea

8. Urea, N-ethyl-

9. 9009-54-5

10. Nsc53556

11. Nsc-53556

12. 7k14b03x18

13. Pellethane

14. Einecs 210-898-8

15. Nsc 53556

16. Ai3-52220

17. Athylisoharnstoff

18. Unii-7k14b03x18

19. N-ethylurea, 97%

20. Ethylurea, N-

21. Sorbicacidvinylester

22. Dtxsid20873854

23. Str01353

24. Zinc1684574

25. Mfcd00007953

26. Stl185700

27. Akos000120949

28. Db-054197

29. E0192

30. Ft-0626364

31. D95291

32. A833843

33. Q-201096

34. Q26840850

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₃H₈N₂O
Molecular Weight	88.11 g/mol
XLogP3	-0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	88.063662883 g/mol
Monoisotopic Mass	88.063662883 g/mol
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	52.8
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