CAS 1197953-47-1

Chemistry, 2 End Use API, 8 Related Intermediates

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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

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Shanghai Fine Pharma

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CAS Number

1197953-47-1

Intermediate Name

2-(Dimethylphosphinyl)benzenamine

About the Company

Shanghai fine pharma founded in 2014, is a professional enterprise with chemical reagents and fine chemic...

Shanghai fine pharma founded in 2014, is a professional enterprise with chemical reagents and fine chemical products development, development and trade. The company has a sound research and development system, advanced technology and equipment, and has a strong ability of independent research and development and innovation. The company has a complete sales network and a comprehensive service system. All kinds of chemical products sold are widely used in pharmaceutical enterprises, scientific research institutions, tertiary institutions, medical institutions, inspection and quarantine, analytical and testing enterprises, etc.

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CAS Number

1197953-47-1

Intermediate Name

(2-Aminophenyl)dimethylphosphine ox...

About the Company

Established in 1999, Hankang Pharmaceutical Group stands as a prominent CRO-CDMO integrated service enter...

Established in 1999, Hankang Pharmaceutical Group stands as a prominent CRO-CDMO integrated service enterprise in China. Focused on generic drugs while venturing into innovative ones, the group is dedicated to offering comprehensive solutions to the industry. Presently, Hankang has crafted over 200 varieties for 600+ domestic and international companies, serving 10+ innovative drugs. It has successfully developed more than 10 initial generic drugs, with over 20 varieties endorsed by the top three domestic companies and 30 exceeding a 100 million output value.

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