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| CAS No.: | 43056-63-9 |
|---|---|
| Name: | 3-AMINO-5-MORPHOLINOMETHYL-2-OXAZOLIDINONE |
| Molecular Structure: | |
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| Formula: | C8H15N3O3 |
| Molecular Weight: | 201.225 |
| Synonyms: | 2-Oxazolidinone,3-amino-5-(morpholinomethyl)- (6CI,7CI);3-amino-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;3-amino-5-morpholinomethyl-2-oxazolidinone;3-amino-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one; |
| EINECS: | 256-068-9 |
| Density: | 1.281 g/cm3 |
| Melting Point: | 115-120 °C |
| Boiling Point: | 315.8 °C at 760 mmHg |
| Flash Point: | 144.8 °C |
| PSA: | 68.03000 |
| LogP: | -0.41080 |
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Specification
The 2-Oxazolidinone,3-amino-5-(4-morpholinylmethyl)-, with the CAS registry number 43056-63-9 and EINECS registry number 256-068-9, has the systematic name of 3-amino-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one. And the molecular formula of this chemical is C8H15N3O3. In addition, it is a metabolite of Nitrofuran, and should be stored at 0-6°C.
The physical properties of 2-Oxazolidinone,3-amino-5-(4-morpholinylmethyl)- are as following: (1)ACD/LogP: -2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.27; (4)ACD/LogD (pH 7.4): -2.17; (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): 1.46; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 45.25 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 49 cm3; (15)Molar Volume: 157 cm3; (16)Polarizability: 19.42×10-24cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.281 g/cm3; (19)Flash Point: 144.8 °C; (20)Enthalpy of Vaporization: 55.7 kJ/mol; (21)Boiling Point: 315.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000428 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OC(CN1CCOCC1)CN2N
(2)InChI: InChI=1/C8H15N3O3/c9-11-6-7(14-8(11)12)5-10-1-3-13-4-2-10/h7H,1-6,9H2
(3)InChIKey: TVHAMVOINIHMEX-UHFFFAOYAY