CAS 99-05-8

Chemistry, 1 End Use API

Chemistry
1 End Use API

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 99-05-8, M-aminobenzoic acid, M-carboxyaniline, Benzoic acid, 3-amino-, 3-carboxyaniline, Maba

Molecular Formula

C₇H₇NO₂

Molecular Weight

137.14 g/mol

InChI Key

XFDUHJPVQKIXHO-UHFFFAOYSA-N

FDA UNII

G2X3B3O37U

1 2D Structure

CAS 99-05-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-aminobenzoic acid

2.1.2 InChI

InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)

2.1.3 InChI Key

XFDUHJPVQKIXHO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

G2X3B3O37U

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-aminobenzoic Acid, Monosodium Salt

2. M-aminobenzoic Acid

3. Meta-aminobenzoic Acid

2.3.2 Depositor-Supplied Synonyms

1. 99-05-8

2. M-aminobenzoic Acid

3. M-carboxyaniline

4. Benzoic Acid, 3-amino-

5. 3-carboxyaniline

6. Maba

7. Benzoic Acid, M-amino-

8. Aniline-3-carboxylic Acid

9. Mfcd00007795

10. M-aminobenzoesaeure

11. 3-aminobenzoesaeure

12. 3-amino-benzoic Acid

13. Mls000069458

14. Chembl307782

15. G2x3b3o37u

16. Imidogen, (3-carboxyphenyl)-

17. Chebi:42682

18. Nsc-15012

19. 143450-90-2

20. Smr000059135

21. 3-aminobenzoic Acid, 98%

22. Einecs 202-724-4

23. Nsc 15012

24. Brn 0471603

25. Unii-g2x3b3o37u

26. M-amonibenzoate

27. 3-aminobenzoic Acid; Mesalazine Imp. D (ep); Mesalazine Impurity D

28. Ai3-04707

29. M-aninobenzoic Acid

30. Gbc

31. M-amonibenzoic Acid

32. M-amino Benzoic Acid

33. 3-amino Benzoic Acid

34. Aniline-3-carboxylate

35. 3-anilinecarboxylic Acid

36. Opera_id_150

37. Aminobenzenecarboxylic Acid

38. Wln: Zr Cvq

39. Oprea1_172994

40. Schembl27648

41. 4-14-00-01092 (beilstein Handbook Reference)

42. Mls001076476

43. Aminobenzoic Acid, M-

44. Dtxsid3059183

45. M-aminobenzoic Acid [mi]

46. Hms2236h06

47. Hms3369j18

48. Nsc15012

49. Str00672

50. Bbl037339

51. Bdbm50226518

52. Stk301688

53. Akos000119015

54. Cs-w019987

55. Db02054

56. Ncgc00018151-01

57. Ncgc00018151-02

58. Ncgc00018151-03

59. Sy001800

60. Db-022255

61. Mesalazine Impurity D [ep Impurity]

62. A0268

63. Am20050192

64. Ns00014560

65. En300-18376

66. D70484

67. Q223045

68. 3-aminobenzoic Acid, Vetec(tm) Reagent Grade, 98%

69. Q-200359

70. Z57127542

71. F2191-0235

72. 3-aminobenzoic Acid, Pharmaceutical Secondary Standard; Certified Reference Material

73. Inchi=1/c7h7no2/c8-6-3-1-2-5(4-6)7(9)10/h1-4h,8h2,(h,9,10

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₇H₇NO₂
Molecular Weight	137.14 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	63.3
Heavy Atom Count	10
Formal Charge	0
Complexity	136
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