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| Name |
Benzenemethanol,4-[4-(phenylmethyl)-1-piperazinyl]- |
EINECS | N/A |
| CAS No. | 325796-34-7 | Density | 1.153 g/cm3 |
| PSA | 26.71000 | LogP | 2.50400 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H23N2O | Boiling Point | 456.938 °C at 760 mmHg |
| Molecular Weight | 282.385 | Flash Point | 236.53 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
[4-(4-Benzylpiperazin-1-yl)phenyl]methanol;4-(4-N-benzylpiperazinyl)benzyl alcohol; |
Benzenemethanol,4-[4-(phenylmethyl)-1-piperazinyl]- Specification
The CAS register number of Benzenemethanol,4-[4-(phenylmethyl)-1-piperazinyl]- is 325796-34-7. It also can be called as 4-(4-N-benzylpiperazinyl)benzyl alcohol and the systematic name about this chemical is [4-(4-benzylpiperazin-1-yl)phenyl]methanol. The molecular formula about this chemical is C18H23N2O and the molecular weight is 283.38802.
Physical properties about Benzenemethanol,4-[4-(phenylmethyl)-1-piperazinyl]- are: (1)ACD/LogP: 1.81; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 23; (6)ACD/KOC (pH 5.5): 64; (7)ACD/KOC (pH 7.4): 320; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 26.71Å2; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 85.642 cm3; (14)Molar Volume: 244.882 cm3; (15)Polarizability: 33.951x10-24cm3; (16)Surface Tension: 51.581 dyne/cm; (17)Enthalpy of Vaporization: 75.549 kJ/mol; (18)Boiling Point: 456.938 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1ccc(cc1)N3CCN(Cc2ccccc2)CC3
(2)InChI: InChI=1/C18H22N2O/c21-15-17-6-8-18(9-7-17)20-12-10-19(11-13-20)14-16-4-2-1-3-5-16/h1-9,21H,10-15H2
(3)InChIKey: CCVYGUZLEYMHAW-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C18H22N2O/c21-15-17-6-8-18(9-7-17)20-12-10-19(11-13-20)14-16-4-2-1-3-5-16/h1-9,21H,10-15H2
(5)Std. InChIKey: CCVYGUZLEYMHAW-UHFFFAOYSA-N
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