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2D Structure
Also known as: 1197953-47-1, 2-(dimethylphosphoryl)aniline, 2-dimethylphosphorylaniline, 2-(dimethylphosphinyl)aniline, (2-aminophenyl)dimethylphosphineoxide, Benzenamine, 2-(dimethylphosphinyl)-
Molecular Formula
C8H12NOP
Molecular Weight
169.16  g/mol
InChI Key
DHHGHQKIKXKQGJ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-dimethylphosphorylaniline
2.1.2 InChI
InChI=1S/C8H12NOP/c1-11(2,10)8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3
2.1.3 InChI Key
DHHGHQKIKXKQGJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CP(=O)(C)C1=CC=CC=C1N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1197953-47-1

2. 2-(dimethylphosphoryl)aniline

3. 2-dimethylphosphorylaniline

4. 2-(dimethylphosphinyl)aniline

5. (2-aminophenyl)dimethylphosphineoxide

6. Benzenamine, 2-(dimethylphosphinyl)-

7. Mfcd23135529

8. Ambz0456

9. Schembl1491871

10. Dtxsid10736323

11. Bcp15257

12. Xxb95347

13. Zinc85221472

14. Akos016005296

15. Am90250

16. Cs-w005746

17. Ds-2507

18. Pb39841

19. (2-aminophenyl)dimethyl Phosphine Oxide

20. 2-(dimethylphosphoryl)benzenamine

21. Sy033213

22. Db-115520

23. Ft-0697403

24. A892422

2.3 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 169.16 g/mol
Molecular Formula C8H12NOP
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass169.065651004 g/mol
Monoisotopic Mass169.065651004 g/mol
Topological Polar Surface Area43.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity175
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1