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| CAS No.: | 366-93-8 |
|---|---|
| Name: | AY 9944 |
| Molecular Structure: | |
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| Formula: | C22H28 Cl2 N2 . 2 Cl H |
| Molecular Weight: | 464.306 |
| Synonyms: | 1,4-Cyclohexanebis(methylamine),N,N'-bis(o-chlorobenzyl)-, dihydrochloride, trans- (8CI);1,4-Cyclohexanedimethanamine, N,N'-bis[(2-chlorophenyl)methyl]-,dihydrochloride, trans- (9CI); AY 9944;N,N'-Bis(o-chlorobenzyl)-trans-1,4-cyclohexanebis(methylamine) dihydrochloride;trans-N,N'-Bis(o-chlorobenzyl)-1,4-cyclohexanebis(methylamine) dihydrochloride |
| Density: | g/cm3 |
| Melting Point: | 288-293.5?°C(lit.) |
| Boiling Point: | 497.7°Cat760mmHg |
| Flash Point: | 254.8°C |
| Safety: | Poison by ingestion. Experimental teratogenic and reproductive effects. Inhibits cholesterol synthesis. When heated to decomposition it emits very toxic fumes of NOx and Cl−. |
| PSA: | 24.06000 |
| LogP: | 8.06500 |
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Chemistry
IUPAC Name: N-[(2-Chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine dihydrochloride
Synonyms of trans-N,N'-Bis(2-chlorobenzyl)-1,4-cyclo hexanebis(methylamine) dihydro chloride (CAS NO.366-93-8) : 1,4-Cyclohexanebis(methylamine), N,N'-bis(o-chlorobenzyl)-, dihydrochloride ; AY 9944 ; Benzylamine, N,N'-(1,4-cyclohexylenedimethylene)bis(2-chloro-, dihydrochloride, (E)- ; trans 1,4-Bis(2-dichlorobenzylaminoethyl)cyclohexane dichlorhydrate
InChI:InChI=1/C22H28Cl2N2.2ClH/c23-21-7-3-1-5-19(21)15-25-13-17-9-11-18(12-10-17)14-26-16-20-6-2-4-8-22(20)24;;/h1-8,17-18,25-26H,9-16H2;2*1H/t17-,18-;;
Product Categories: Inhibitors;Intermediates & Fine Chemicals;Pharmaceuticals;Lipid signaling
CAS NO:366-93-8
Molecular Formula:C22H30Cl4N2
Molecular Weight :464.299
Molecular Structure :.png)
Flash Point: 284.2 °C
Enthalpy of Vaporization: 84.09 kJ/mol
Boiling Point: 546.4 °C at 760 mmHg
Vapour Pressure: 2.85E-12 mmHg at 25°C
Melting Point:288-293.5 °C(lit.)
Storage temp: 2-8°C
Solubility DMSO: 14 mg/mL
Color : white
Uses
trans-N,N'-Bis(2-chlorobenzyl)-1,4-cyclo hexanebis(methylamine) dihydro chloride (CAS NO.366-93-8) is used as cholesterol synthesis inhibitor which inhibits both 7-dehydrocholesterol 7-reductase and 8,7-sterol isomerase. And also used as a sonic hedgehog inhibitor.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 155mg/kg (155mg/kg) | Proceedings of the Society for Experimental Biology and Medicine. Vol. 139, Pg. 100, 1972. |
Safety Profile
Poison by ingestion. Experimental teratogenic and reproductive effects. Inhibits cholesterol synthesis. When trans-N,N'-Bis(2-chlorobenzyl)-1,4-cyclo hexanebis(methylamine) dihydro chloride (CAS NO.366-93-8) is heated to decomposition, it emits very toxic fumes of NOx and Cl−.
Hazard Codes 
Xi,
N
Risk Statements 36/37/38-50/53
R36/37/38: trans-N,N'-Bis(2-chlorobenzyl)-1,4-cyclo hexanebis(methylamine) dihydro chloride (CAS NO.366-93-8) is irritating to eyes, respiratory system and skin.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements 26-60-61
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR UN 3077 9/PG 3
WGK Germany 3
RTECS GU7025000