CAS 87266-37-3

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Also known as: 87266-37-3, 1h-imidazole-1-acetic acid monohydrochloride, 1h-imidazole-1-acetic acid hydrochloride, 2-imidazol-1-ylacetic acid;hydrochloride, 1h-imidazole-1-acetic acid mono, hcl, 1h-imidazol-1-ylacetic acid hydrochloride

Molecular Formula

C₅H₇ClN₂O₂

Molecular Weight

162.57 g/mol

InChI Key

JKZJSYXGKHQHRA-UHFFFAOYSA-N

1 2D Structure

CAS 87266-37-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-imidazol-1-ylacetic acid;hydrochloride

2.1.2 InChI

InChI=1S/C5H6N2O2.ClH/c8-5(9)3-7-2-1-6-4-7;/h1-2,4H,3H2,(H,8,9);1H

2.1.3 InChI Key

JKZJSYXGKHQHRA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CN(C=N1)CC(=O)O.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 87266-37-3

2. 1h-imidazole-1-acetic Acid Monohydrochloride

3. 1h-imidazole-1-acetic Acid Hydrochloride

4. 2-imidazol-1-ylacetic Acid;hydrochloride

5. 1h-imidazole-1-acetic Acid Mono, Hcl

6. 1h-imidazol-1-ylacetic Acid Hydrochloride

7. Acetic Acid, 2-(1h-imidazol-1-yl) Hydrochloride

8. 1h-imidazole-1-aceticacid,monohydrochloride

9. 1h-imidazole-1-acetic Acid, Monohydrochloride

10. 1h-imidazoleacetic Acid Hcl

11. Schembl1904485

12. Dtxsid80516159

13. Bcp18186

14. 1-imidazolylacetic Acid Hydrochloride

15. Mfcd00050629

16. Akos015892557

17. Ac-2878

18. Ac-6808

19. 2-(1-imidazolyl)acetic Acid Hydrochloride

20. 2-(1-imidazolyl) Acetic Acid Hydrochloride

21. Db-005096

22. 1h-imidazole-1-aceticacid, Monohydrochloride

23. 2-(1h-imidazol-1-yl)aceticacidhydrochloride

24. Cs-0043865

25. Ft-0601518

26. Ft-0670305

27. En300-38979

28. 266i373

29. (1h-imidazol-1-yl)acetic Acid--hydrogen Chloride (1/1)

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₅H₇ClN₂O₂
Molecular Weight	162.57 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	162.0196052 g/mol
Monoisotopic Mass	162.0196052 g/mol
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116
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	2

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