CAS 41202-77-1

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1 End Use APIs
39 Related Intermediates

Chemistry

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Also known as: 41202-77-1, Dcpp, 2,3-dichlorophenylpiperazine, 1-(2,3-dichlorophenyl)-piperazine, Piperazine, 1-(2,3-dichlorophenyl)-, N-(2,3-dichlorophenyl)piperazine

Molecular Formula

C₁₀H₁₂Cl₂N₂

Molecular Weight

231.12 g/mol

InChI Key

UDQMXYJSNNCRAS-UHFFFAOYSA-N

FDA UNII

891W3EV0B1

1 2D Structure

CAS 41202-77-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2,3-dichlorophenyl)piperazine

2.1.2 InChI

InChI=1S/C10H12Cl2N2/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14/h1-3,13H,4-7H2

2.1.3 InChI Key

UDQMXYJSNNCRAS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCN1)C2=C(C(=CC=C2)Cl)Cl

2.2 Other Identifiers

2.2.1 UNII

891W3EV0B1

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4,4-dicarboxy-5-pyridoxylproline

2. Dcpp

2.3.2 Depositor-Supplied Synonyms

1. 41202-77-1

2. Dcpp

3. 2,3-dichlorophenylpiperazine

4. 1-(2,3-dichlorophenyl)-piperazine

5. Piperazine, 1-(2,3-dichlorophenyl)-

6. N-(2,3-dichlorophenyl)piperazine

7. 4-(2,3-dichlorophenyl)piperazine

8. (2,3-dichlorophenyl)piperazine

9. Chembl1424807

10. 891w3ev0b1

11. Mfcd01075181

12. Unii-891w3ev0b1

13. Mls000550163

14. 1-(2,3-dichlorophenyl) Piperazine

15. Ec 609-896-3

16. Schembl8511

17. 2,3 Dichlorophenyl Piperazine

18. 2,3-dichlorophenyl Piperazine

19. 1-(2,3dichlorophenyl)piperazine

20. Dtxsid90961499

21. Hms2415o17

22. Zinc386729

23. 1-(2,3-dichlorphenyl)-piperazine

24. Ac-328

25. Bdbm50394930

26. 1-(2,3-dichloro-phenyl)-piperazine

27. Akos009158229

28. Gf-0124

29. Smr000115758

30. Sy005285

31. Db-025250

32. Am20090770

33. Aripiprazole Impurity B [ep Impurity]

34. Ft-0605474

35. Aq-360/42118436

36. Q4596761

2.4 Create Date

2005-07-09

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂Cl₂N₂
Molecular Weight	231.12 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	230.0377538 g/mol
Monoisotopic Mass	230.0377538 g/mol
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	183
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