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Name |
Medifoxamine |
EINECS | 251-011-4 |
CAS No. | 32359-34-5 | Density | 1.077 g/cm3 |
PSA | 21.70000 | LogP | 3.03210 |
Solubility | N/A | Melting Point |
138 °C |
Formula | C16H19NO2 | Boiling Point | 379.968 °C at 760 mmHg |
Molecular Weight | 257.332 | Flash Point | 132.866 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(Dimethylamino)acetaldehyde diphenyl acetal;Acetaldehyde, (dimethylamino)-, diphenyl acetal;N,N-Dimethyl-2,2-diphenoxyethylamine;N,N-Dimethyl-2,2-diphenoxyethanamine; |
The Medifoxamine, with the CAS registry number 32359-34-5, is also known as Acetaldehyde, (dimethylamino)-, diphenyl acetal. Its EINECS number is 251-011-4. This chemical's molecular formula is C16H19NO2 and molecular weight is 290.74. What's more, its systematic name is N,N-Dimethyl-2,2-diphenoxyethanamine. Its classification code is Drug / Therapeutic Agent.
Physical properties of Medifoxamine are: (1)ACD/LogP: 2.523; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 24.64; (7)ACD/KOC (pH 5.5): 7.58; (8)ACD/KOC (pH 7.4): 284.18; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 76.759 cm3; (15)Molar Volume: 238.98 cm3; (16)Polarizability: 30.43×10-24cm3; (17)Surface Tension: 39.31 dyne/cm; (18)Density: 1.077 g/cm3; (19)Flash Point: 132.866 °C; (20)Enthalpy of Vaporization: 62.806 kJ/mol; (21)Boiling Point: 379.968 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1)C(Oc2ccccc2)CN(C)C
(2)Std. InChI: InChI=1S/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
(3)Std. InChIKey: QNMGHBMGNRQPNL-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 750mg/kg (750mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: EXCITEMENT | Therapie. Vol. 26, Pg. 553, 1971. |