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Medifoxamine

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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 Molecular Structure of 32359-34-5 (MEDIFOXAMINE) 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;

 

Medifoxamine Specification

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.

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