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CAS 477600-70-7 manufacturers and suppliers on PharmaCompass

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CAS 477600-70-7
Also known as: 477600-70-7, Cis-1-benzyl-n,4-dimethylpiperidin-3-amine, (3r,4r)-n,4-dimethyl-1-benzyl-3-piperidinamine, 477600-69-4, 3-piperidinamine, n,4-dimethyl-1-(phenylmethyl)-, (3r,4r)-, (3r,4r)-(1-benzyl-4-methyl-piperidin-3-yl)-methyl-amine
Molecular Formula
C14H22N2
Molecular Weight
218.34  g/mol
InChI Key
NVKDDQBZODSEIN-OCCSQVGLSA-N

1 2D Structure

CAS 477600-70-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine
2.1.2 InChI
InChI=1S/C14H22N2/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t12-,14+/m1/s1
2.1.3 InChI Key
NVKDDQBZODSEIN-OCCSQVGLSA-N
2.1.4 Canonical SMILES
CC1CCN(CC1NC)CC2=CC=CC=C2
2.1.5 Isomeric SMILES
C[C@@H]1CCN(C[C@@H]1NC)CC2=CC=CC=C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 477600-70-7

2. Cis-1-benzyl-n,4-dimethylpiperidin-3-amine

3. (3r,4r)-n,4-dimethyl-1-benzyl-3-piperidinamine

4. 477600-69-4

5. 3-piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, (3r,4r)-

6. (3r,4r)-(1-benzyl-4-methyl-piperidin-3-yl)-methyl-amine

7. Mfcd09475548

8. Tofacitinib Impurity F

9. Tofacitinib Impurity E

10. Cis-(1-benzyl-4-methyl-piperidin-3-yl)-methyl-amine

11. Schembl352022

12. Amy4163

13. Dtxsid70659968

14. Cs-b0451

15. Cua60069

16. Mfcd11978163

17. Zinc34040492

18. Akos007930642

19. Akos015919918

20. Ds-0688

21. Fs-2942

22. Ac-24272

23. A25786

24. (3r,4r)-1-benzyl-n,4-dimethyl-3-piperidinamine

25. A1-00088

26. J-504320

27. (3r,4r)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine

28. 3-piperidinamine,n,4-dimethyl-1-(phenylmethyl)-,(3r,4r)-rel-

2.3 Create Date
2010-03-02
3 Chemical and Physical Properties
Molecular Weight 218.34 g/mol
Molecular Formula C14H22N2
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass218.178298710 g/mol
Monoisotopic Mass218.178298710 g/mol
Topological Polar Surface Area15.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity199
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag China
Digital Content Digital Content
URL Supplier Web Content
90213-66-4
Tofacitinib Citrate
Chengda Pharmaceutical Co., Ltd. was founded in 1999. It is located in the Hangzhou-Jiaxing-Huzhou plain,...
Chengda Pharmaceutical Co., Ltd. was founded in 1999. It is located in the Hangzhou-Jiaxing-Huzhou plain, Jiashan Economic & Technological Development Zone (national level). The company has two production plants, No. 5 Hengshan Road and No. 36 Huanghe Road. It covers an area of 123,743 square meters & a building area of 67,760 square meters. The company is a high-tech enterprise with a provincial research & development center. The company mainly produces raw materials, food additives, feed additives & antibiotics, anti-cancer, anti-virus & other series of pharmaceutical intermediates, the products are sold to more than 30 countries.
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