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Technical details about CAS 267413-25-2, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 267413-25-2, 1h-indazol-5-ylmethanamine, 5-aminomethyl-1h-indazole, 1h-indazole-5-methanamine, 5-aminomethyl indazole, C-(1h-indazol-5-yl)-methylamine
Molecular Formula
C8H9N3
Molecular Weight
147.18  g/mol
InChI Key
AQMGFFLBKVOJLW-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1H-indazol-5-ylmethanamine
2.1.2 InChI
InChI=1S/C8H9N3/c9-4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5H,4,9H2,(H,10,11)
2.1.3 InChI Key
AQMGFFLBKVOJLW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=C1CN)C=NN2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 267413-25-2

2. 1h-indazol-5-ylmethanamine

3. 5-aminomethyl-1h-indazole

4. 1h-indazole-5-methanamine

5. 5-aminomethyl Indazole

6. C-(1h-indazol-5-yl)-methylamine

7. 5-(aminomethyl)-1h-indazole

8. 5-(aminomethyl)indazole

9. 1-(1h-indazol-5-yl)methanamine

10. 5-aminomethylindazole

11. Schembl264211

12. Chembl4784594

13. Dtxsid40477479

14. 1-(1h-indazole-5-yl)methanamine

15. 5-aminomethyl Indazole, Aldrichcpr

16. Bcp23456

17. Mfcd09028157

18. Stl282216

19. Zinc19045771

20. Akos006281177

21. Pb26424

22. Ps-4788

23. Sb10118

24. Db-020983

25. A5259

26. Cs-0006080

27. Ft-0685928

28. J-500186

2.3 Create Date
2007-02-07
3 Chemical and Physical Properties
Molecular Weight 147.18 g/mol
Molecular Formula C8H9N3
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass147.079647300 g/mol
Monoisotopic Mass147.079647300 g/mol
Topological Polar Surface Area54.7 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 Count1
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