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| CAS No.: | 92188-49-3 |
|---|---|
| Name: | 1-(3-METHOXY-PHENYL)-2-METHYLAMINO-ETHANOL |
| Molecular Structure: | |
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| Formula: | C10H15NO2 |
| Molecular Weight: | 181.235 |
| Synonyms: | Benzylalcohol, m-methoxy-a-[(methylamino)methyl]- (6CI,7CI);(?à)-2-Methylamino-1-(3-methoxyphenyl)ethanol;1-(3-Methoxyphenyl)-2-(methylamino)ethanol; |
| Density: | 1.067 g/cm3 |
| Boiling Point: | 315.4 °C at 760 mmHg |
| Flash Point: | 144.6 °C |
| PSA: | 41.49000 |
| LogP: | 1.33890 |
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This chemical is called Benzenemethanol,3-methoxy-a-[(methylamino)methyl]-, and its systematic name is 1-(3-Methoxyphenyl)-2-(methylamino)ethanol. With the molecular formula of C10H15NO2, its molecular weight is 181.23. The CAS registry number of this chemical is 92188-49-3.
Other characteristics of Benzenemethanol,3-methoxy-a-[(methylamino)methyl]- can be summarised as followings: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.41; (4)ACD/LogD (pH 7.4): -1.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 52.24 cm3; (15)Molar Volume: 169.8 cm3; (16)Polarizability: 20.71×10-24cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.067 g/cm3; (19)Flash Point: 144.6 °C; (20)Enthalpy of Vaporization: 58.77 kJ/mol; (21)Boiling Point: 315.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000185 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O(c1cc(ccc1)C(O)CNC)C
2.InChI: InChI=1/C10H15NO2/c1-11-7-10(12)8-4-3-5-9(6-8)13-2/h3-6,10-12H,7H2,1-2H3
3.InChIKey: ZIGVURPVSKJORL-UHFFFAOYAJ
4.Std. InChI: InChI=1S/C10H15NO2/c1-11-7-10(12)8-4-3-5-9(6-8)13-2/h3-6,10-12H,7H2,1-2H3
5.Std. InChIKey: ZIGVURPVSKJORL-UHFFFAOYSA-N