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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Chemistry

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Also known as: 3-phenylpropyl carbamate, 673-31-4, Spantol, Ansepron, Proformiphen, Eirenal

Molecular Formula

C₁₀H₁₃NO₂

Molecular Weight

179.22 g/mol

InChI Key

CAMYKONBWHRPDD-UHFFFAOYSA-N

FDA UNII

UJZ473TPS0

1 2D Structure

Phenprobamate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-phenylpropyl carbamate

2.1.2 InChI

InChI=1S/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)

2.1.3 InChI Key

CAMYKONBWHRPDD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

UJZ473TPS0

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-phenylpropylcarbamate

2. Gamaquil

2.3.2 Depositor-Supplied Synonyms

1. 3-phenylpropyl Carbamate

2. 673-31-4

3. Spantol

4. Ansepron

5. Proformiphen

6. Eirenal

7. Actiphan

8. Actozine

9. Extacol

10. Nelaxan

11. Palmita

12. Qumamquil

13. Tranquil

14. Fenprobamato

15. Benzenepropanol, Carbamate

16. 3-phenyl-1-propanol Carbamate

17. Carbamic Acid, 3-phenylpropyl Ester

18. 1-carbamoyloxy-3-phenylpropane

19. Hg 532

20. Mh 532

21. Phenoprobamate

22. Gamaquil

23. 1-propanol, 3-phenyl-, Carbamate

24. Mh-532

25. Nsc 44682

26. Nsc 50538

27. Carbamic Acid 3-phenylpropyl Ester

28. Nsc-44682

29. Nsc-50538

30. Nsc-64270

31. Ujz473tps0

32. .gamma.-phenylpropyl Carbamate

33. Mls001075792

34. 1-propanol, Carbamate

35. Ncgc00164589-01

36. Smr000466378

37. Wln: Zvo3r

38. .gamma.-phenylpropylcarbamat

39. Dsstox_cid_26464

40. Dsstox_rid_81638

41. Dsstox_gsid_46464

42. Phenprobamatum

43. Mh532

44. Benzenepropanol Carbamate

45. Gamma-phenylpropyl Carbamate

46. Fenprobamato [inn-spanish]

47. Phenprobamatum [inn-latin]

48. Cas-673-31-4

49. Gamma-phenylpropylcarbamat [german]

50. Phenprobamate [inn:ban:dcf:jan]

51. Gamma-phenylpropylcarbamat

52. Einecs 211-606-1

53. Nsc 64270

54. Unii-ujz473tps0

55. Brn 1959273

56. Phenprobamat

57. Quamaquil

58. Spantol (tn)

59. Phenprobamate (jan/inn)

60. Phenprobamate [mi]

61. Phenprobamate [inn]

62. Phenprobamate [jan]

63. Cid_4770

64. Nciopen2_000174

65. Mls000759511

66. Mls001075579

67. Mls001075598

68. Mls001424080

69. Phenprobamate [mart.]

70. Schembl134496

71. Phenprobamate [who-dd]

72. Chembl1079576

73. Dtxsid2046464

74. Bdbm66801

75. Chebi:31992

76. Hms2051j03

77. Hms2235c09

78. Hms3369f14

79. Hms3393j03

80. Hms3715h22

81. Nsc44682

82. Nsc50538

83. Nsc64270

84. Zinc1676954

85. Tox21_112215

86. Mfcd00868163

87. Akos006273141

88. Tox21_112215_1

89. Ccg-100915

90. Db13354

91. Ks-5236

92. Nc00165

93. Ncgc00164589-02

94. Ac-32475

95. Bp166013

96. C76122

97. D01824

98. 673p314

99. A835714

100. Q7181402

101. W-104719

102. Brd-k22009844-001-09-1

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₃NO₂
Molecular Weight	179.22 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	179.094628657 g/mol
Monoisotopic Mass	179.094628657 g/mol
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	153
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