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CAS No.: | 912569-56-3 |
---|---|
Name: | 3-[3-(Dimethylamino)propoxy]benzyl alcohol |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C12H19NO2 |
Molecular Weight: | 209.288 |
Synonyms: | [3-(3-Dimethylaminopropoxy)phenyl]methanol; |
Density: | 1.043 g/cm3 |
Boiling Point: | 336.9 °C at 760 mmHg |
Flash Point: | 157.6 °C |
Hazard Symbols: | C |
PSA: | 32.70000 |
LogP: | 1.50940 |
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This chemical is called Benzenemethanol, 3-[3-(dimethylamino)propoxy]-, and its systematic name is [3-[3-(dimethylamino)propoxy]phenyl]methanol. With the molecular formula of C12H19NO2, its molecular weight is 209.28. The CAS registry number of this chemical is 912569-56-3.
Other characteristics of the Benzenemethanol, 3-[3-(dimethylamino)propoxy]- can be summarised as followings: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 32.7 Å2; (7)Index of Refraction: 1.526; (8)Molar Refractivity: 61.63 cm3; (9)Molar Volume: 200.5 cm3; (10)Polarizability: 24.43×10-24cm3; (11)Surface Tension: 39.3 dyne/cm; (12)Density: 1.043 g/cm3; (13)Flash Point: 157.6 °C; (14)Enthalpy of Vaporization: 61.23 kJ/mol; (15)Boiling Point: 336.9 °C at 760 mmHg; (16)Vapour Pressure: 4.24E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CN(C)CCCOc1cccc(c1)CO
2.InChI: InChI=1/C12H19NO2/c1-13(2)7-4-8-15-12-6-3-5-11(9-12)10-14/h3,5-6,9,14H,4,7-8,10H2,1-2H3
3.InChIKey: BABQTNDHVRVEJD-UHFFFAOYAS