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| CAS No.: | 17238-55-0 |
|---|---|
| Name: | Morpholine-4-carboxamidine hemisulfate |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C10H24N6O6S |
| Molecular Weight: | 356.403 |
| Synonyms: | 4-morpholinecarboxamidine,sulfate(2:1);4-morpholinecarboximidamide,sulfate(2:1);n’,n’-anhydrobis(beta-hydroxyethyl)guanidinesulfate;MORPHOLINE-4-CARBOXAMIDINE HEMISULFATE;MORPHOLINE-4-CARBOXAMIDINEHEMISULFATESALT;4-Morpholinecarboxamidine sulfate ,95%;Morpholine-4-carboxamidine hemisulfate ,97%;Morpholine-4-carboxiMidaMide sulfate(2:1) |
| Boiling Point: | 222.6 °C at 760 mmHg |
| Flash Point: | 88.4 °C |
| PSA: | 207.66000 |
| LogP: | 0.32800 |
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Specification
The Morpholine-4-carboxamidine hemisulfate, with CAS registry number 17238-55-0, has the systematic name of morpholine-4-carboximidamide sulfate (2:1). Besides this, it is also called 4-Morpholinecarboximidamide, sulfate (2:1). Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C10H24N6O6S.
Physical properties of Morpholine-4-carboxamidine hemisulfate: (1)ACD/LogP: -2.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 28.07 Å2; (7)Flash Point: 88.4 °C; (8)Enthalpy of Vaporization: 45.91 kJ/mol; (9)Boiling Point: 222.6 °C at 760 mmHg; (10)Vapour Pressure: 0.101 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.[N@H]=C(N)N1CCOCC1.[N@H]=C(N)N1CCOCC1
(2)InChI: InChI=1/2C5H11N3O.H2O4S/c2*6-5(7)8-1-3-9-4-2-8;1-5(2,3)4/h2*1-4H2,(H3,6,7);(H2,1,2,3,4)
(3)InChIKey: NJPXFDGHJDIRKX-UHFFFAOYAS
(4)Std. InChI: InChI=1S/2C5H11N3O.H2O4S/c2*6-5(7)8-1-3-9-4-2-8;1-5(2,3)4/h2*1-4H2,(H3,6,7);(H2,1,2,3,4)
(5)Std. InChIKey: NJPXFDGHJDIRKX-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1900mg/kg (1900mg/kg) | Journal of Antibiotics, Series A. Vol. 15, Pg. 242, 1962. |