CAS 36476-88-7

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Also known as: 36476-88-7, (1-benzhydrylazetidin-3-yl)methanamine, 1-benzhydryl-3-aminomethyl-azetidine, 3-(aminomethyl)-1-benzhydrylazetidine, (1-benzhydrylazetidin-3-yl) methanamine, [1-(diphenylmethyl)azetidin-3-yl]methanamine

Molecular Formula

C₁₇H₂₀N₂

Molecular Weight

252.35 g/mol

InChI Key

KISVATOISQDZJU-UHFFFAOYSA-N

1 2D Structure

CAS 36476-88-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1-benzhydrylazetidin-3-yl)methanamine

2.1.2 InChI

InChI=1S/C17H20N2/c18-11-14-12-19(13-14)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17H,11-13,18H2

2.1.3 InChI Key

KISVATOISQDZJU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)CN

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 36476-88-7

2. (1-benzhydrylazetidin-3-yl)methanamine

3. 1-benzhydryl-3-aminomethyl-azetidine

4. 3-(aminomethyl)-1-benzhydrylazetidine

5. (1-benzhydrylazetidin-3-yl) Methanamine

6. [1-(diphenylmethyl)azetidin-3-yl]methanamine

7. Mfcd03093388

8. 1-benzhydrylazetidine-3-methanamine

9. 1-diphenylmethyl-3-(aminomethyl)azetidine

10. C-(1-benzhydryl-azetidin-3-yl)-methylamine

11. 1-benzhydryl-3-aminomethylazetidine

12. Schembl84788

13. Dtxsid70434590

14. Zinc2506582

15. 3-aminomethyl-1-benzhydryl Azetidine

16. Ab2635

17. (1-benzhydryl-3-azetanyl)methanamine

18. Akos005258646

19. (1-benzhydrylazetidin-3-yl)methylamine

20. Pb24784

21. Ss-3680

22. Wt82223

23. 3-aminomethyl-1-diphenylmethyl-azetidine

24. 1-(diphenylmethyl)-3-azetidinemethanamine

25. Sy027056

26. (1-diphenylmethylazetidin-3-ylmethyl)-amine

27. Db-013204

28. Am20040288

29. Cs-0053028

30. Ft-0770161

31. (1-diphenylmethyl-azetidin-3-ylmethyl)-amine

32. 3-aminomethyl-1-diphenylmethylazetidine

33. 1-[1-(diphenylmethyl)azetidin-3-yl]methanamine

34. 3-(aminomethyl)-1-(1,1-diphenylmethyl)azetidine

35. 476a887

36. A823263

37. J-504214

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₀N₂
Molecular Weight	252.35 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	252.162648646 g/mol
Monoisotopic Mass	252.162648646 g/mol
Topological Polar Surface Area	29.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	242
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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