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CAS No.: | 5339-01-5 |
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Name: | 3-DIMETHYLAMINOPHENYLMETHYLCARBINOL |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C10H15NO |
Molecular Weight: | 165.235 |
Synonyms: | Benzylalcohol, m-(dimethylamino)-a-methyl- (8CI);1-[3-(Dimethylamino)phenyl]ethanol;NSC 3455; |
Density: | 1.042 g/cm3 |
Boiling Point: | 280.5 °C at 760 mmHg |
Flash Point: | 132.8 °C |
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The Benzenemethanol,3-(dimethylamino)-a-methyl-, with CAS registry number 5339-01-5, has the systematic name of 1-[3-(dimethylamino)phenyl]ethanol. Besides this, it is also called 3-Dimethylaminophenylmethylcarbinol. And the chemical formula of this chemical is C10H15NO.
Physical properties of Benzenemethanol,3-(dimethylamino)-a-methyl-: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.565; (8)Molar Refractivity: 51.65 cm3; (9)Molar Volume: 158.4 cm3; (10)Polarizability: 20.47×10-24cm3; (11)Surface Tension: 41 dyne/cm; (12)Density: 1.042 g/cm3; (13)Flash Point: 132.8 °C; (14)Enthalpy of Vaporization: 54.85 kJ/mol; (15)Boiling Point: 280.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00179 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1cc(N(C)C)ccc1)C
(2)InChI: InChI=1/C10H15NO/c1-8(12)9-5-4-6-10(7-9)11(2)3/h4-8,12H,1-3H3
(3)InChIKey: XYGWUVVZDWJPBW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H15NO/c1-8(12)9-5-4-6-10(7-9)11(2)3/h4-8,12H,1-3H3
(5)Std. InChIKey: XYGWUVVZDWJPBW-UHFFFAOYSA-N