Benzamidine

Synopsis, Chemistry

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Also known as: Benzenecarboximidamide, 618-39-3, Benzimidamide, Phenylamidine, Nsc 243704, Benzamidine (protonated)

Molecular Formula

C₇H₈N₂

Molecular Weight

120.15 g/mol

InChI Key

PXXJHWLDUBFPOL-UHFFFAOYSA-N

FDA UNII

KUE3ZY3J1F

1 2D Structure

Benzamidine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzenecarboximidamide

2.1.2 InChI

InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)

2.1.3 InChI Key

PXXJHWLDUBFPOL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

KUE3ZY3J1F

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Benzamidine Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. Benzenecarboximidamide

2. 618-39-3

3. Benzimidamide

4. Phenylamidine

5. Nsc 243704

6. Benzamidine (protonated)

7. Kue3zy3j1f

8. Chembl20936

9. Chebi:41033

10. Nsc-243704

11. 123920-06-9

12. Ben

13. .beta.-allo-2-octulopyranose, 2,7-anhydro-1,4,8-trideoxy-5-o-(phenylmethyl)-

14. Ccris 2952

15. Einecs 210-546-3

16. Unii-kue3zy3j1f

17. 1bra

18. 1oss

19. 2ast

20. Benzenecarboxamidine

21. Mfcd00042826

22. 1c5o

23. 1c5p

24. 1c5z

25. 1ce5

26. 1f5k

27. 1h4w

28. 1v2j

29. 1v2l

30. 1v2m

31. 1v2s

32. 1v2u

33. 1v2v

34. 2j9n

35. Benzamidine;benzimidamide

36. Lopac-b-6506

37. Schembl9207

38. Lopac0_000203

39. Mls001066369

40. Gtpl7566

41. Dtxsid8045012

42. Zinc36634

43. 1j14

44. 1j15

45. 1j16

46. 1w80

47. Hms2233b11

48. Hms3370l08

49. Albb-021313

50. Amy31187

51. Bbl012141

52. Bdbm50038002

53. Nsc243704

54. Stl163510

55. Akos000201384

56. Ab01943

57. Bs-3750

58. Ccg-204298

59. Sdccgsbi-0050191.p002

60. Ncgc00015160-01

61. Ncgc00015160-02

62. Ncgc00015160-03

63. Ncgc00015160-04

64. Ncgc00015160-05

65. Ncgc00015160-07

66. Ncgc00162090-01

67. Smr000471900

68. Db-031147

69. Cs-0103011

70. Ft-0694841

71. J3.531.736h

72. C01784

73. Ab00691669-14

74. A852076

75. Ae-641/30119009

76. Q-100255

77. Q4890748

78. 64f5c29d-34e7-4815-b5f3-cc94ea3d2cad

79. F1905-7123

80. [4-(diaminomethylene)-2,5-cyclohexadiene-1-ylidene]radical

81. 125772-71-6

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₇H₈N₂
Molecular Weight	120.15 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	120.068748264 g/mol
Monoisotopic Mass	120.068748264 g/mol
Topological Polar Surface Area	49.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	104
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