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CAS 15996-76-6 manufacturers and suppliers on PharmaCompass

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  • Chemistry
CAS 15996-76-6
Also known as: 15996-76-6, 4-cyanobenzylamine hydrochloride, 4-cyanobenzylamine hcl, 4-(aminomethyl)benzonitrile, hcl, 4-(aminomethyl)benzonitrile hcl, 4-(aminomethyl)benzonitrile;hydrochloride
Molecular Formula
C8H9ClN2
Molecular Weight
168.62  g/mol
InChI Key
QREZLLYPLRPULF-UHFFFAOYSA-N

1 2D Structure

CAS 15996-76-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(aminomethyl)benzonitrile;hydrochloride
2.1.2 InChI
InChI=1S/C8H8N2.ClH/c9-5-7-1-2-8(6-10)4-3-7;/h1-4H,5,9H2;1H
2.1.3 InChI Key
QREZLLYPLRPULF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1CN)C#N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 15996-76-6

2. 4-cyanobenzylamine Hydrochloride

3. 4-cyanobenzylamine Hcl

4. 4-(aminomethyl)benzonitrile, Hcl

5. 4-(aminomethyl)benzonitrile Hcl

6. 4-(aminomethyl)benzonitrile;hydrochloride

7. Benzonitrile, 4-(aminomethyl)-, Monohydrochloride

8. Mfcd01861472

9. 4-(aminomethyl)benzonitrile Hydrochloride, 97%

10. 4-(aminomethyl)benzonitrilehydrochloride

11. 4-aminomethyl-benzonitrile Hydrochloride

12. 4-cyanobenzyl Amine Hcl

13. 4-aminomethylbenzonitrile Hcl

14. Schembl154002

15. P-cyanobenzylamine Hydrochloride

16. Benzonitrile, 4-(aminomethyl)-, Hydrochloride (1:1)

17. Dtxsid90433101

18. 4-cyano-benzyl Amine Hydrochloride

19. Act00198

20. P-cyanobenzylamine Hydrogen Chloride

21. Ck2122

22. 4-aminomethylbenzonitrile Hydrochloride

23. Akos005258846

24. Ac-4566

25. Alpha-amino-p-tolunitrile Hydrochloride

26. Cs-w007809

27. 4-(aminomethyl)-benzonitrile Hcl

28. P-(aminomethyl)benzonitrile Hydrochloride

29. Bp-13015

30. Sy007868

31. Ts-02287

32. 4-(aminomethyl)-benzonitrile Hydrochloride

33. Am20060522

34. Ft-0649364

35. En300-66289

36. J-009659

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 168.62 g/mol
Molecular Formula C8H9ClN2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass168.0454260 g/mol
Monoisotopic Mass168.0454260 g/mol
Topological Polar Surface Area49.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity137
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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