CAS 42823-46-1

Chemistry, 2 End Use API, 3 Related Intermediates

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Also known as: 42823-46-1, N-(4-carboxyphenyl)guanidine hydrochloride, 4-guanidinobenzoic acid hcl, 4-guanidinobenzoic acid hydrochloride salt, 4-guanidinobenzoic acid, hcl, 4-(diaminomethylideneamino)benzoic acid;hydrochloride

Molecular Formula

C₈H₁₀ClN₃O₂

Molecular Weight

215.64 g/mol

InChI Key

YETFLAUJROGBMC-UHFFFAOYSA-N

1 2D Structure

CAS 42823-46-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(diaminomethylideneamino)benzoic acid;hydrochloride

2.1.2 InChI

InChI=1S/C8H9N3O2.ClH/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13)(H4,9,10,11);1H

2.1.3 InChI Key

YETFLAUJROGBMC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C(=O)O)N=C(N)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 42823-46-1

2. N-(4-carboxyphenyl)guanidine Hydrochloride

3. 4-guanidinobenzoic Acid Hcl

4. 4-guanidinobenzoic Acid Hydrochloride Salt

5. 4-guanidinobenzoic Acid, Hcl

6. 4-(diaminomethylideneamino)benzoic Acid;hydrochloride

7. Mfcd00040587

8. 4-carbamimidamidobenzoic Acid Hydrochloride

9. Einecs 255-956-3

10. 4-guanidino Benzoic Acid Hydrochloride

11. Schembl273175

12. Dtxsid40195500

13. 4-guanidino-benzoic Acid-hcl Salt

14. Act01150

15. Cs-d1435

16. Nsc163526

17. Akos015847066

18. Akos032949748

19. Ac-1838

20. Nsc 163526

21. Nsc-163526

22. 4-guanidinobenzoic Acid Monohydrochloride

23. N-(4-carboxyphenyl)guanidine Hcl

24. As-12610

25. Bp-21359

26. Sy005675

27. 4-guanidinobenzoic Acid Hydrochloride, 99%

28. Am20060627

29. Ft-0618572

30. G0238

31. 4-carbamimidamidobenzoic Acid Hydrochloride (1:1)

32. J-515439

33. 4-{[amino(imino)methyl]amino}benzoic Acid Hydrochloride

2.3 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀ClN₃O₂
Molecular Weight	215.64 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	215.0461543 g/mol
Monoisotopic Mass	215.0461543 g/mol
Topological Polar Surface Area	102 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	215
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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Maisuriya Pharma Solutions is a research-driven & technology-oriented company. Continuous innovations & i...

Maisuriya Pharma Solutions is a research-driven & technology-oriented company. Continuous innovations & improvement are the lifeblood of our business. Our major focus is to offer pharmaceutical solutions globally. Our core expertise: Development of processes and production of complex molecules for Lifesciences and Specialty Chemicals markets. We are committed to providing customers with products fulfilling customers’ needs and expectations. Maisuriya Pharma Solutions ensures Safety and Reliability with respect to regulations (sustainable development, ISO, GMP), and guarantees total confidentiality.

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