CAS 119192-10-8

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3 Suppliers, 3 End Use APIs, 10 Related Intermediates

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3 End Use APIs
10 Related Intermediates

Chemistry

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Also known as: 119192-10-8, 4-((1h-1,2,4-triazol-1-yl)methyl)aniline, 1-(4-aminobenzyl)-1,2,4-triazole, 4-(1,2,4-triazol-1-ylmethyl)aniline, Benzenamine, 4-(1h-1,2,4-triazol-1-ylmethyl)-, 4-(1h-1,2,4-triazol-1-ylmethyl)benzenamine

Molecular Formula

C₉H₁₀N₄

Molecular Weight

174.20 g/mol

InChI Key

ZGLQVRIVLWGDNA-UHFFFAOYSA-N

1 2D Structure

CAS 119192-10-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(1,2,4-triazol-1-ylmethyl)aniline

2.1.2 InChI

InChI=1S/C9H10N4/c10-9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5,10H2

2.1.3 InChI Key

ZGLQVRIVLWGDNA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1CN2C=NC=N2)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 119192-10-8

2. 4-((1h-1,2,4-triazol-1-yl)methyl)aniline

3. 1-(4-aminobenzyl)-1,2,4-triazole

4. 4-(1,2,4-triazol-1-ylmethyl)aniline

5. Benzenamine, 4-(1h-1,2,4-triazol-1-ylmethyl)-

6. 4-(1h-1,2,4-triazol-1-ylmethyl)benzenamine

7. 4-[1,2,4]triazol-1-ylmethylphenylamine

8. 4-(1h-1,2,4-triazol-1-yl-methyl)benzenamine

9. 4-[(1h-1,2,4-triazol-1-yl)methyl]aniline

10. Mfcd00973306

11. 4-[1,2,4]triazol-1-ylmethyl-phenylamine

12. 1-(4-aminobenzyl)-1h-1,2,4-triazole

13. Schembl264856

14. Schembl3460891

15. Dtxsid00356296

16. Stk347700

17. Akos000127887

18. Ac-3463

19. Cs-w002719

20. Sy005205

21. Ts-02410

22. 1-(4-aminophenyl)methyl-1,2,4-triazole

23. 4-(1,2,4-triazol-1-yl-methyl)-aniline

24. 1-(4-aminophenyl) Methyl-1,2,4-triazole

25. Db-017257

26. Db-295021

27. Db-345276

28. 4-(1h-1,2,4-triazol-1-ylmethyl) Aniline

29. 4-[1h-1,2,4-triazol-1-yl Methyl]aniline

30. Am20050533

31. En300-30834

32. 4-(1h-1,2,4-triazol-1-ylmethyl)phenylamine

33. Ar-011/40584933

34. Q-200423

35. 4-(1h-1,2,4-triazol-1-ylmethyl)aniline, Aldrichcpr

36. Z239137448

37. 4-((1h-1,2,4-triazol-1-yl)methyl)benzenamine;1-(4-aminobenzyl)-1,2,4-triazole

38. 1092370-48-3

2.3 Create Date

2005-07-09

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀N₄
Molecular Weight	174.20 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	56.7
Heavy Atom Count	13
Formal Charge	0
Complexity	154
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