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CAS 112559-81-6 manufacturers and suppliers on PharmaCompass

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CAS 112559-81-6
Also known as: 112559-81-6, 4-[4-(4-nitrophenyl)piperazin-1-yl]phenol, 4-(4-(4-nitrophenyl)piperazin-1-yl)phenol, 4-[4-(4-nitrophenyl)-1-piperazinyl]phenol, Phenol, 4-[4-(4-nitrophenyl)-1-piperazinyl]-, 1-(4-hydroxyphenyl)-4-(4-nitrophenyl)-piperazine
Molecular Formula
C16H17N3O3
Molecular Weight
299.32  g/mol
InChI Key
BNHYDULILNJFFY-UHFFFAOYSA-N

1 2D Structure

CAS 112559-81-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[4-(4-nitrophenyl)piperazin-1-yl]phenol
2.1.2 InChI
InChI=1S/C16H17N3O3/c20-16-7-5-14(6-8-16)18-11-9-17(10-12-18)13-1-3-15(4-2-13)19(21)22/h1-8,20H,9-12H2
2.1.3 InChI Key
BNHYDULILNJFFY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 112559-81-6

2. 4-[4-(4-nitrophenyl)piperazin-1-yl]phenol

3. 4-(4-(4-nitrophenyl)piperazin-1-yl)phenol

4. 4-[4-(4-nitrophenyl)-1-piperazinyl]phenol

5. Phenol, 4-[4-(4-nitrophenyl)-1-piperazinyl]-

6. 1-(4-hydroxyphenyl)-4-(4-nitrophenyl)-piperazine

7. Schembl3891177

8. Dtxsid40464167

9. Bcp18700

10. Mfcd08460988

11. Zinc21982756

12. Akos008568216

13. 4-[4-(4-nitrophenyl)piperazino]phenol

14. Ac-24285

15. Ds-13491

16. Cs-0130720

17. 1-(4-hydroxyphenyl)-4-(4-nitrophenyl)piperazine

18. 559n816

19. A802601

20. J-002792

21. N-(4-hydroxyphenyl)-n'-(4-nitrophenyl)-piperazine

22. N-(4-hydroxyphenyl)-n'-(4'-nitrophenyl)-piperazine

23. 4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenol;4-(4-(4-nitrophenyl)-1-piperazinyl)phenol

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 299.32 g/mol
Molecular Formula C16H17N3O3
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass299.12699141 g/mol
Monoisotopic Mass299.12699141 g/mol
Topological Polar Surface Area72.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity363
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag India
Digital Content Digital Content
URL Supplier Web Content
110931-77-6
Posaconazole
Integrin Life Sciences Pvt. Ltd. is one of the growing pharmaceutical API, advanced chemical intermediate...
Integrin Life Sciences Pvt. Ltd. is one of the growing pharmaceutical API, advanced chemical intermediates manufacturing companies in India. Our Plant is Located in Jaggaiahpet APIIC Industrial Estate, Krishna District, Near the National highway from Hyderabad to Vijayawada, from Hyderabad Airport to 200 km. Integrin is Managed by young entrepreneurs having vast experience in various fields like R & D, production, and marketing of active pharmaceutical ingredients. Integrin life sciences in multi Therapeutic SegmentsLike AntiUlcer, AntiPsychotics, Anti Histamines Anti Fungal and AntiDepressants.
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