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Cas Database |
| Name |
(R)-2-[3-(3-Methoxypropoxy)-4-methoxybenzyl]-3-methylbutan-1-ol |
EINECS | N/A |
| CAS No. | 172900-70-8 | Density | 1.020g/cm3 |
| PSA | 47.92000 | LogP | 2.91750 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H28O4 | Boiling Point | 407.65 °C at 760 mmHg |
| Molecular Weight | 296.407 | Flash Point | 200.34 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzenepropanol,4-methoxy-3-(3-methoxypropoxy)-b-(1-methylethyl)-, (R)-;(R)-2-[3-(3-Methoxypropoxy)-4-methoxybenzyl]-3-methylbutan-1-ol; |
Article Data | 24 |
(R)-2-[3-(3-Methoxypropoxy)-4-methoxybenzyl]-3-methylbutan-1-ol Specification
The (R)-2-[3-(3-Methoxypropoxy)-4-methoxybenzyl]-3-methylbutan-1-ol with cas registry number of 172900-70-8, whose systematic name is (2r)-2-[4-methoxy-3-(3-methoxypropoxy)benzyl]-3-methylbutan-1-ol. This chemical belongs to the following product categorie: drug intermediates.
Physical properties about this chemical are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 90; (6)ACD/BCF (pH 7.4): 90; (7)ACD/KOC (pH 5.5): 873; (8)ACD/KOC (pH 7.4): 873; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 47.92 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 84.787 cm3; (15)Molar Volume: 290.424 cm3; (16)Polarizability: 33.612×10-24cm3; (17)Surface Tension: 35.093 dyne/cm; (18)Enthalpy of Vaporization: 69.548 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O(c1cc(ccc1OC)C[C@@H](CO)C(C)C)CCCOC;
(2)InChI:InChI=1/C17H28O4/c1-13(2)15(12-18)10-14-6-7-16(20-4)17(11-14)21-9-5-8-19-3/h6-7,11,13,15,18H,5,8-10,12H2,1-4H3/t15-/m0/s1;
(3)InChIKey:UAPTTWMKOMYVNB-HNNXBMFYBA;
(4)Std. InChI:InChI=1S/C17H28O4/c1-13(2)15(12-18)10-14-6-7-16(20-4)17(11-14)21-9-5-8-19-3/h6-7,11,13,15,18H,5,8-10,12H2,1-4H3/t15-/m0/s1;
(5)Std. InChIKey:UAPTTWMKOMYVNB-HNNXBMFYSA-N.
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