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Overview of CAS 66315-15-9

Client Email Product
4CH-017062
PharmaCompass
4CH-017062
Also known as: 66315-15-9, 3-amino-4-methylaminobenzoic acid, Benzoicacid, 3-amino-4-(methylamino)-, Schembl1067119, Ctk2f1805, Ks-00000ngu
Molecular Formula
C8H10N2O2
Molecular Weight
166.18  g/mol
InChI Key
QZZIBMYRWBVKLM-UHFFFAOYSA-N

1 2D Structure

4CH-017062

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-amino-4-(methylamino)benzoic acid
2.1.2 InChI
InChI=1S/C8H10N2O2/c1-10-7-3-2-5(8(11)12)4-6(7)9/h2-4,10H,9H2,1H3,(H,11,12)
2.1.3 InChI Key
QZZIBMYRWBVKLM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNC1=C(C=C(C=C1)C(=O)O)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 66315-15-9

2. 3-amino-4-methylaminobenzoic Acid

3. Benzoicacid, 3-amino-4-(methylamino)-

4. Schembl1067119

5. Ctk2f1805

6. Ks-00000ngu

7. Dtxsid40467951

8. Molport-005-939-004

9. Qzzibmyrwbvklm-uhfffaoysa-n

10. Mfcd06208249

11. Sbb064259

12. Zinc21993990

13. 3-azanyl-4-(methylamino)benzoic Acid

14. 3-amino-4-(methylamino) Benzoic Acid

15. Akos010216217

16. Benzoicacid,3-amino-4-(methylamino)-

17. Cs-w006930

18. 3-amino-4-methylamino-benzoicacid

19. Aj-79853

20. Ak-36039

21. Ds-12822

22. Kb-29584

23. Or033426

24. St2404878

25. 4ch-017062

26. Ft-0646452

27. A835417

28. I01-4483

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 166.18 g/mol
Molecular Formula C8H10N2O2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass166.074 g/mol
Monoisotopic Mass166.074 g/mol
Topological Polar Surface Area75.4 A^2
Heavy Atom Count12
Formal Charge0
Complexity172
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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