(R)-2-[3-(3-Methoxypropoxy)-4-methoxybenzyl]-3-methylbutan-1-ol supplier

Name
Benzenepropanol, 4-methoxy-3-(3-methoxypropoxy)-b-(1-methylethyl)-, (bR)-
EINECS
CAS No. 172900-70-8
Article Data24
CAS DataBase
Density 1.020g/cm³
Solubility
Melting Point
Formula C₁₇H₂₈O₄
Boiling Point 407.65 °C at 760 mmHg
Molecular Weight 296.407
Flash Point 200.34 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenepropanol,4-methoxy-3-(3-methoxypropoxy)-b-(1-methylethyl)-, (R)-;(R)-2-[3-(3-Methoxypropoxy)-4-methoxybenzyl]-3-methylbutan-1-ol;
PSA 47.92000
LogP 2.91750

(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.

Product Name

Benzenepropanol, 4-methoxy-3-(3-methoxypropoxy)-b-(1-methylethyl)-, (bR)-

(R)-2-[3-(3-Methoxypropoxy)-4-methoxybenzyl]-3-methylbutan-1-ol Specification

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