CAS 277319-62-7

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-N'-hydroxybenzenecarboximidamide

2.1.2 InChI

InChI=1S/C7H9N3O/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H,8H2,(H2,9,10)

2.1.3 InChI Key

CNFNMMJKXWOLPY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C(=NO)N)N

2.1.5 Isomeric SMILES

C1=CC(=CC=C1/C(=N/O)/N)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 277319-62-7

2. 4-aminobenzamide Oxime

3. 4-amino-n'-hydroxybenzene-1-carboximidamide

4. 4-amino-n'-hydroxybenzimidamide

5. 4-amino-n'-hydroxybenzenecarboximidamide

6. 4-aminobenzamidoxime

7. Benzenecarboximidamide, 4-amino-n-hydroxy-

8. 4-amino-n-hydroxy-benzamidine

9. 4-amino Benzamidoxime

10. 4-aminobenzamide Oxime, 97%

11. Schembl8271836

12. Cla31962

13. Mfcd09910189

14. Akos000129989

15. As-35801

16. Benzenecarboximidamide, 4-amino-n'-hydroxy-

17. Cs-0109841

18. En300-53604

19. J-016871

20. Z364003706

21. (z)-4-amino-n'-hydroxybenzamidine;4-amino-benzamide Oxime

2.3 Create Date

2006-01-25

3 Chemical and Physical Properties

Molecular Formula	C₇H₉N₃O
Molecular Weight	151.17 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	84.6
Heavy Atom Count	11
Formal Charge	0
Complexity	150
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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