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4-Morpholinecarboximidamide,hydrobromide (1:1)

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Name

4-Morpholinecarboximidamide,hydrobromide (1:1)

EINECS N/A
CAS No. 157415-17-3 Density N/A
PSA 62.34000 LogP 0.90810
Solubility Soluble in water. Melting Point 155-165 °C
Formula C5H12BrN3O Boiling Point 222.6 °C at 760 mmHg
Molecular Weight 210.074 Flash Point 88.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 157415-17-3 (MORPHOLINOFORMAMIDINE HYDROBROMIDE) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

Morpholine-4-carboxamidine, bromide;

Article Data 2

4-Morpholinecarboximidamide,hydrobromide (1:1) Specification

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 %.

The 4-Morpholinecarboximidamide,hydrobromide (1:1) can react with 4-Bromo-N-dimethylaminomethylene-benzamide to get 2-(4-Bromo-phenyl)-4-morpholin-4-yl-[1,3,5]triazine

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

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