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CHEMISTRY

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Chemistry

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Also known as: 373690-68-7, N-(4-cyanophenyl)guanidine hydrochloride, 2-(4-cyanophenyl)guanidine;hydrochloride, 1-(4-cyanophenyl)guanidinehydrochloride, 2-(4-cyanophenyl)guanidine,hydrochloride, Schembl5344413

Molecular Formula

C₈H₉ClN₄

Molecular Weight

196.64 g/mol

InChI Key

FNUYXKASQONDCV-UHFFFAOYSA-N

CAS 373690-68-7

1 2D Structure

CAS 373690-68-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-cyanophenyl)guanidine;hydrochloride

2.1.2 InChI

InChI=1S/C8H8N4.ClH/c9-5-6-1-3-7(4-2-6)12-8(10)11;/h1-4H,(H4,10,11,12);1H

2.1.3 InChI Key

FNUYXKASQONDCV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 373690-68-7

2. N-(4-cyanophenyl)guanidine Hydrochloride

3. 2-(4-cyanophenyl)guanidine;hydrochloride

4. 1-(4-cyanophenyl)guanidinehydrochloride

5. 2-(4-cyanophenyl)guanidine,hydrochloride

6. Schembl5344413

7. N-(4-cyanophenyl)guanidine Hcl

8. Dtxsid70670456

9. 4-cyanophenylguanidine Hydrochloride

10. Mfcd16619304

11. Akos015890398

12. Akos037643198

13. Ac-28376

14. As-10282

15. Cs-0157476

16. Ft-0657948

17. C93471

18. Guanidine, (4-cyanophenyl)-, Monohydrochloride

19. 690c687

20. A823615

21. J-503290

22. N''-(4-cyanophenyl)guanidine--hydrogen Chloride (1/1)

23. 2-(4-cyanophenyl)guanidine Hydrochloride;1-(4-cyanophenyl)guanidine Hydrochloride

2.3 Create Date

2010-06-17

3 Chemical and Physical Properties

Molecular Formula	C₈H₉ClN₄
Molecular Weight	196.64 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	196.0515740 g/mol
Monoisotopic Mass	196.0515740 g/mol
Topological Polar Surface Area	88.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	213
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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