CAS No.3731-59-7,Moroxydine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3731-59-7
Name:	Moroxydine
Article Data:	13

Formula:	C₆H₁₃N₅O
Molecular Weight:	171.202
Synonyms:	4-Morpholinecarboxamidine,N-amidino- (8CI);Guanidine, 4-morpholinecarboximidoyl- (6CI);4-Morpholinecarboximidoylguanidine;ABOB;JD 1022;Moroxydine;N1,N1-Anhydrobis(b-hydroxyethyl)biguanide;SKF 8898A;Vironil;Virugon;Virumin;Wirumin;
EINECS:	223-093-1
Density:	1.51 g/cm³
Melting Point:	211-214 °C(lit.)
Boiling Point:	327 °C at 760 mmHg
Flash Point:	151.6 °C
Appearance:	WHITE TO OFF-WHITE POWDER, CRYSTALS,. CRYSTALLINE POWDER AND/OR CHUNKS
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39-36
PSA:	98.22000
LogP:	-0.03500

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Specification

The CAS register number of Moroxydine is 3731-59-7. It also can be called as 4-Morpholinecarboximidoylguanidine and the systematic name about this chemical is N-(diaminomethylidene)morpholine-4-carboximidamide. Its molecular formula is C₆H₁₃N₅O and molecular weight is 171.2.

Physical properties about Moroxydine are: (1)ACD/LogP: -2.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.6; (4)ACD/LogD (pH 7.4): -4.5; (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; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.67Å²; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 41.78 cm³; (15)Molar Volume: 112.9 cm³; (16)Surface Tension: 69.2 dyne/cm; (17)Density: 1.51 g/cm³; (18)Flash Point: 151.6 °C; (19)Enthalpy of Vaporization: 56.93 kJ/mol; (20)Boiling Point: 327 °C at 760 mmHg; (21)Vapour Pressure: 0.000207 mmHg at 25°C.

Uses of Moroxydine: It reacts with imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester to get 4-imidazo[1,2-a]pyridin-2-yl-6-morpholin-4-yl-[1,3,5]triazin-2-ylamine. This reaction needs solvent methanol. The yield is 30 %.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1.SMILES: N(=C(\N)N)\C(=[N@H])N1CCOCC1
2.InChI: InChI=1/C6H13N5O/c7-5(8)10-6(9)11-1-3-12-4-2-11/h1-4H2,(H5,7,8,9,10)
3.InChIKey: KJHOZAZQWVKILO-UHFFFAOYAH
4.Std. InChI: InChI=1S/C6H13N5O/c7-5(8)10-6(9)11-1-3-12-4-2-11/h1-4H2,(H5,7,8,9,10)