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CAS No.: | 157415-17-3 |
---|---|
Name: | MORPHOLINOFORMAMIDINE HYDROBROMIDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C5H12BrN3O |
Molecular Weight: | 210.074 |
Synonyms: | Morpholine-4-carboxamidine, bromide; |
Melting Point: | 155-165 °C |
Boiling Point: | 222.6 °C at 760 mmHg |
Flash Point: | 88.4 °C |
Solubility: | Soluble in water. |
Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 62.34000 |
LogP: | 0.90810 |
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The 4-Morpholinecarboximidamide,hydrobromide (1:1), with the CAS registry number of 157415-17-3, is also known as Morpholine-4-carboxamidine, bromide. Its molecular formula is C5H12BrN3O and molecular weight is 210.07. What's more, its systematic name is Morpholine-4-carboximidamide hydrobromide. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the 4-Morpholinecarboximidamide,hydrobromide (1:1) are: (1)ACD/LogP: -2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 28.07 Å2; (11)Flash Point: 88.4 °C; (12)Enthalpy of Vaporization: 45.91 kJ/mol; (13)Boiling Point: 222.6 °C at 760 mmHg; (14)Vapour Pressure: 0.101 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce 2-(4-Bromo-phenyl)-4-morpholin-4-yl-[1,3,5]triazine. This reaction needs reagent t-BuOK. Meanwhile, it needs solvent Dioxane. The reaction time is 6 h with reaction temperature of 100 °C. The yield is about 80 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: Br.[N@H]=C(N)N1CCOCC1
(2) InChI: InChI=1/C5H11N3O.BrH/c6-5(7)8-1-3-9-4-2-8;/h1-4H2,(H3,6,7);1H
(3) InChIKey: IOHSDHMCZXCESZ-UHFFFAOYAZ