CAS 811-93-8

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3 Suppliers, 3 End Use APIs, 14 Related Intermediates

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3 End Use APIs
14 Related Intermediates

Chemistry

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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

CAS 811-93-8

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 Formula	C₄H₁₂N₂
Molecular Weight	88.15 g/mol
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	88.100048391 g/mol
Monoisotopic Mass	88.100048391 g/mol
Topological Polar Surface Area	52 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	40.8
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