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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

CAS 1197953-47-1
1 2D Structure

CAS 1197953-47-1

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

BUILDING BLOCK

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