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Name |
3-(1-(Dimethylamino)ethyl]phenol |
EINECS | 600-665-2 |
CAS No. | 105601-04-5 | Density | 1.021 g/cm3 |
PSA | 23.47000 | LogP | 2.01480 |
Solubility | N/A | Melting Point |
87-89°C |
Formula | C10H15NO | Boiling Point | 241.3 °C at 760 mmHg |
Molecular Weight | 165.235 | Flash Point | 97.2 °C |
Transport Information | N/A | Appearance | pale brown solid |
Safety | 26-39-45 | Risk Codes | 25-41 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
ZNS 114-666; |
Article Data | 15 |
The 3-(1-(Dimethylamino)ethyl]phenol is an organic compound with the formula C10H15NO. The IUPAC name of this chemical is 3-[(1R)-1-(dimethylamino)ethyl]phenol. With the CAS registry number 105601-04-5, it is also named as Phenol, 3-[1-(dimethylamino)ethyl]-. The product's categories are Amines; Aromatics; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. Besides, it is a pale brown solid, which is used as an major metabolite of rivastigmine.
Physical properties about 3-(1-(Dimethylamino)ethyl]phenol are: (1)ACD/LogP: 1.59; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 12.47 Å2; (6)Index of Refraction: 1.539; (7)Molar Refractivity: 50.67 cm3; (8)Molar Volume: 161.6 cm3; (9)Polarizability: 20.08×10-24cm3; (10)Surface Tension: 38.5 dyne/cm; (11)Density: 1.021 g/cm3; (12)Flash Point: 97.2 °C; (13)Enthalpy of Vaporization: 49.77 kJ/mol; (14)Boiling Point: 241.3 °C at 760 mmHg; (15)Vapour Pressure: 0.0233 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(ccc1)C(N(C)C)C
(2)InChI: InChI=1/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3
(3)InChIKey: GQZXRLWUYONVCP-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3
(5)Std. InChIKey: GQZXRLWUYONVCP-UHFFFAOYSA-N