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CAS 152460-07-6

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CHEMISTRY

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Also known as: 152460-07-6, Guanidine,(2-methyl-5-nitrophenyl), 1-(2-methyl-5-nitrophenyl)guanidine, 2-(2-methyl-5-nitrophenyl)guanidine, Guanidine,n-(2-methyl-5-nitrophenyl)-, Schembl1583292

Molecular Formula

C₈H₁₀N₄O₂

Molecular Weight

194.19 g/mol

InChI Key

LAZBONZCMJREIQ-UHFFFAOYSA-N

CAS 152460-07-6

1 2D Structure

CAS 152460-07-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2-methyl-5-nitrophenyl)guanidine

2.1.2 InChI

InChI=1S/C8H10N4O2/c1-5-2-3-6(12(13)14)4-7(5)11-8(9)10/h2-4H,1H3,(H4,9,10,11)

2.1.3 InChI Key

LAZBONZCMJREIQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N=C(N)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 152460-07-6

2. Guanidine,(2-methyl-5-nitrophenyl)

3. 1-(2-methyl-5-nitrophenyl)guanidine

4. 2-(2-methyl-5-nitrophenyl)guanidine

5. Guanidine,n-(2-methyl-5-nitrophenyl)-

6. Schembl1583292

7. (2-methyl-5-nitrophenyl)guanidine

8. Zinc2513613

9. Akos006280007

10. Mb02715

11. N-(2-methyl-5-nitrophenyl)-guanidine

12. Db-063944

13. Ft-0701528

14. J3.562.571b

15. 460m076

16. J-522958

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀N₄O₂
Molecular Weight	194.19 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	194.08037557 g/mol
Monoisotopic Mass	194.08037557 g/mol
Topological Polar Surface Area	110 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	244
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

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