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| CAS No.: | 120011-70-3 |
|---|---|
| Name: | 2,3-Dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-1H-inden-1-one hydrochloride |
| Molecular Structure: | |
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|
|
| Formula: | C24H30ClNO3 |
| Molecular Weight: | 415.95 |
| Synonyms: | 1H-Inden-1-one,2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-,hydrochloride (9CI);Aricept;Donepezil HCl;2-[(1-benzylpipéridin-4-yl)méthyl]-5,6-diméthoxy-2,3-dihydro-1H-indén-1-one chlorhydrate; |
| EINECS: | 620-543-2 |
| Melting Point: | 220-222 °C |
| Boiling Point: | 527.9 °C at 760 mmHg |
| Flash Point: | 273.1 °C |
| Solubility: | Soluble in water |
| Appearance: | white to off-white crystalline solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 38.77000 |
| LogP: | 5.10100 |
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Chemistry
Molecular Structure of 1H-Inden-1-one,2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-,hydrochloride (1:1) (CAS NO.120011-70-3):
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IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one hydrochloride
Empirical Formula: C24H30ClNO3
Molecular Weight: 415.9529
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 38.77 Å2
Flash Point: 273.1 °C
Enthalpy of Vaporization: 80.26 kJ/mol
Boiling Point: 527.9 °C at 760 mmHg
Vapour Pressure: 3.11E-11 mmHg at 25°C
Melting point: 220-222°C
InChI
InChI=1/C24H29NO3.ClH/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;/h3-7,14-15,17,20H,8-13,16H2,1-2H3;1H
Smiles
C1([C@@H](Cc2cc(c(cc12)OC)OC)CC1CCN(CC1)Cc1ccccc1)=O.Cl
Product Categories: Active Pharmaceutical Ingredients; Nootropic; Intermediates & Fine Chemicals; Pharmaceuticals; Donepezil
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: UN 2811
Specification
1H-Inden-1-one,2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-,hydrochloride (1:1) , with CAS number of 120011-70-3, can be called 1-Benzyl-4-[(5,6-dimethoxy-1-indanon-2-yl)methyl]piperidine Hydrochloride ; 1H-inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-, hydrochloride ; 1H-inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-, hydrochloride (1:1) ; 2,3-Dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-1H-inden-1-one Hydrochloride ; 2-[(1-Benzyl-4-piperidinyl)methyl]-5,6-dimethoxy-1-indanone hydrochloride ; 2-[(1-benzylpipéridin-4-yl)méthyl]-5,6-diméthoxy-2,3-dihydro-1H-indén-1-one chlorhydrate ; 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one hydrochloride (1:1) ; 2-[(1-Benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-onhydrochlorid . It is a white to off-white crystalline solid, can be used as an inhibitor of acetylcholinesterase.