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| CAS No.: | 60577-28-8 |
|---|---|
| Name: | N,N-Dimethyl-3-phenyl-3-hydroxypropylamine |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C11H17NO |
| Molecular Weight: | 179.262 |
| Synonyms: | 1-Propanol,2-(dimethylamino)-3-phenyl- (6CI,7CI);NSC 45499;3-(Dimethylamino)-1-phenylpropan-1-ol;3-Dimethylamino-1-phenyl-1-propanol; |
| Density: | 1.011 g/cm3 |
| Boiling Point: | 284.4 °C at 760 mmHg |
| Flash Point: | 99.8 °C |
| PSA: | 23.47000 |
| LogP: | 1.67170 |
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Specification
The N,N-Dimethyl-3-phenyl-3-hydroxypropylamine, with the cas registry number 60577-28-8, has the systematic name of 3-(dimethylamino)-1-phenylpropan-1-ol. The molecular formula of the chemical is C11H17NO.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.67; (4)ACD/LogD (pH 7.4): -0.35; (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): 2.75; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 54.95 cm3; (15)Molar Volume: 177.2 cm3; (16)Polarizability: 21.78×10-24cm3; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.011 g/cm3; (19)Flash Point: 99.8 °C; (20)Enthalpy of Vaporization: 55.28 kJ/mol; (21)Boiling Point: 284.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0014 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(c1ccccc1)CCN(C)C
(2)InChI: InChI=1/C11H17NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3
(3)InChIKey: VELGOYBSKBKQFF-UHFFFAOYAB