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| CAS No.: | 102392-87-0 |
|---|---|
| Name: | MORPHOLINE-4-CARBOXIMIDAMIDE HYDROIODIDE |
| Molecular Structure: | |
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| Formula: | C5H12IN3O |
| Molecular Weight: | 257.074 |
| Synonyms: | Morpholine-4-carboxamidine; |
| Melting Point: | 141-145℃ |
| Boiling Point: | 222.6 °C at 760 mmHg |
| Flash Point: | 88.4 °C |
| PSA: | 62.34000 |
| LogP: | 0.94820 |
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- Total:20 Page 1 of 1 1
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Specification
The 4-Morpholinecarboximidamide,hydriodide (1:1), with the CAS registry number of 102392-87-0, is also known as Morpholine-4-carboxamidine, iodide. Its molecular formula is C5H12IN3O and molecular weight is 257.07. What's more, its systematic name is Morpholine-4-carboximidamide hydroiodide.
Physical properties about the 4-Morpholinecarboximidamide,hydriodide (1:1) are: (1)ACD/LogP: -2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.29; (4)ACD/LogD (pH 7.4): -4.29; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.07 Å2; (13)Flash Point: 88.4 °C; (14)Enthalpy of Vaporization: 45.91 kJ/mol; (15)Boiling Point: 222.6 °C at 760 mmHg; (16)Vapour Pressure: 0.101 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: I.[N@H]=C(N)N1CCOCC1
(2) InChI: InChI=1/C5H11N3O.HI/c6-5(7)8-1-3-9-4-2-8;/h1-4H2,(H3,6,7);1H
(3) InChIKey: LJQSGLRGQQZIMF-UHFFFAOYAX