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Home > Hot Product_List > (+/-)-N-[2-[[Hydroxy-3-(4-hydroxy)propyl]amino]ethyl-4-morpholinecarboxamide hemifumarate salt

Basic information

  • Name:
  • (+/-)-N-[2-[[Hydroxy-3-(4-hydroxy)propyl]amino]ethyl-4-morpholinecarboxamide hemifumarate salt

  • CAS No.:
  • 73210-73-8

  • Molecular Structure:
  • Formula:
  • C36H54N6O14
  • Molecular Weight:
  • 794.85
  • Synonyms:
  • 4-Morpholinecarboxamide,N-[2-[[2-hydroxy- 3-(4-hydroxyphenoxy)propyl]amino]ethyl]-,(2E)-2-butenedioate (2:1) (salt);Bis(N-(2-((2-hydroxy-3-(4-hydroxyphenoxy)propyl)amino)ethyl)morpholine-4-carboxamide) fumarate;Xamoterol hemifumarate;Corwin;ICI 1185876;but-2-enedioic acid; N-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide;N-(2-{[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino}ethyl)morpholine-4-carboxamide (2E)-but-2-enedioate (2:1) (salt);
  • EINECS:
  • 277-319-9
  • Melting Point:
  • 168-169° (dec)
  • Boiling Point:
  • 651.4 °C at 760 mmHg
  • Flash Point:
  • 347.7 °C
  • Solubility:
  • H2O: 10 mg/mL at 60 °C, soluble
  • Appearance:
  • white solid
  • Safety Description:
  • 22-24/25 Details

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Specification

The (+/-)-N-[2-[[Hydroxy-3-(4-hydroxy)propyl]amino]ethyl-4-morpholinecarboxamide hemifumarate salt, with the CAS registry number 73210-73-8, is also known as Bis(N-(2-((2-hydroxy-3-(4-hydroxyphenoxy)propyl)amino)ethyl)morpholine-4-carboxamide) fumarate. Its EINECS number is 277-319-9. This chemical's molecular formula is C36H54N6O14 and molecular weight is 794.85. What's more, its systematic name is N-(2-{[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino}ethyl)morpholine-4-carboxamide (2E)-but-2-enedioate (2:1) (salt).

Physical properties of (+/-)-N-[2-[[Hydroxy-3-(4-hydroxy)propyl]amino]ethyl-4-morpholinecarboxamide hemifumarate salt are: (1)ACD/LogP: -0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.2; (4)ACD/LogD (pH 7.4): -1.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.11; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 63.71 Å2; (13)Flash Point: 347.7 °C; (14)Enthalpy of Vaporization: 100.87 kJ/mol; (15)Boiling Point: 651.4 °C at 760 mmHg; (16)Vapour Pressure: 7.41E-18 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
You should not breathe dust, and you also should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(NCCNCC(O)COc1ccc(O)cc1)N2CCOCC2.O=C(O)\C=C\C(=O)O.O=C(NCCNCC(O)COc1ccc(O)cc1)N2CCOCC2
(2)InChI: InChI=1/2C16H25N3O5.C4H4O4/c2*20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19;5-3(6)1-2-4(7)8/h2*1-4,14,17,20-21H,5-12H2,(H,18,22);1-2H,(H,5,6)(H,7,8)/b;;2-1+
(3)InChIKey: QEDVGROSOZBGOZ-WXXKFALUBA

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