CAS 1197953-47-1

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Chemistry

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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

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 Formula	C₈H₁₂NOP
Molecular Weight	169.16 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	169.065651004 g/mol
Monoisotopic Mass	169.065651004 g/mol
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	175
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