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2D Structure
Also known as: 811-93-8, 1,2-diamino-2-methylpropane, 2-methyl-1,2-propanediamine, 1,2-propanediamine, 2-methyl-, Methyl-2 propanediamine-1,2, 1,2-diamino-2-methyl propane
Molecular Formula
C4H12N2
Molecular Weight
88.15  g/mol
InChI Key
OPCJOXGBLDJWRM-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-methylpropane-1,2-diamine
2.1.2 InChI
InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3
2.1.3 InChI Key
OPCJOXGBLDJWRM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(CN)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 811-93-8

2. 1,2-diamino-2-methylpropane

3. 2-methyl-1,2-propanediamine

4. 1,2-propanediamine, 2-methyl-

5. Methyl-2 Propanediamine-1,2

6. 1,2-diamino-2-methyl Propane

7. 1,1-dimethyl-1,2-ethanediamine

8. 2-methyl-1,2-diaminopropane

9. 2-methylpropylenediamine

10. Einecs 212-374-4

11. Nsc 17717

12. Brn 0773658

13. Nsc17717

14. 1,1-dimethylethylenediamine

15. 2,2-dimethylethylenediamine

16. 2-amino-2-methylpropylamine

17. 2,2-dimethly-ethylenediamine

18. 1,2-diamino-2-methlypropane

19. 4-04-00-01306 (beilstein Handbook Reference)

20. 1,2-diamino-2-methyl-propane

21. 2-methyl-1,2-diamino Propane

22. 2-methyl-propane-1,2-diamine

23. Dtxsid10230896

24. Chebi:183963

25. (2-amino-1,1-dimethylethyl)amine

26. Amy14283

27. Str01438

28. Mfcd00008054

29. Nsc-17717

30. Zinc19366925

31. Akos005259267

32. Pb47713

33. Bp-12794

34. Db-056499

35. Cs-0058986

36. D2102

37. Ft-0606331

38. 1,1-dimethyl-1,2-ethanediamine; Isobutylenediamine

39. Q27454691

40. (2-amino-1,1-dimethylethyl)amine; 2-methyl-1,2-propanediamine

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 88.15 g/mol
Molecular Formula C4H12N2
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass88.100048391 g/mol
Monoisotopic Mass88.100048391 g/mol
Topological Polar Surface Area52 Ų
Heavy Atom Count6
Formal Charge0
Complexity40.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1