Name: (+/-)-N-[2-[[Hydroxy-3-(4-hydroxy)propyl]amino]ethyl-4-morpholinecarboxamide hemifumarate salt
SKU: 73210-73-8

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Basic Information

Molecular Structure:
CAS No.:	73210-73-8
Name:	(+/-)-N-[2-[[Hydroxy-3-(4-hydroxy)propyl]amino]ethyl-4-morpholinecarboxamide hemifumarate salt
Article Data:	2

Formula:	C₃₆H₅₄N₆O₁₄
Molecular Weight:	455.465
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:	22-24/25
PSA:	103.29000
LogP:	0.48300

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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