-
Name
2-[(4-methoxyphenyl)methylamino]ethanol
- EINECS 258-484-6
- CAS No. 53332-62-0
- Article Data7
- CAS DataBase
- Density 1.071g/cm3
- Solubility
- Melting Point
- Formula C10H15NO2
- Boiling Point 329.5 °C at 760 mmHg
- Molecular Weight 181.235
- Flash Point 153.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-((4-Methoxyphenyl)methylamino)ethanol; 2-[(4-methoxybenzyl)amino]ethanol
- PSA 32.70000
- LogP 1.12370
Ethanol,2-[(4-methoxyphenyl)methylamino]- Specification
The Ethanol,2-[(4-methoxyphenyl)methylamino]-, with CAS registry number 53332-62-0, has the systematic name of 2-[(4-methoxybenzyl)amino]ethanol. And its IUPAC name is the same one. The chemical formula of this chemical is C10H15NO2. Its molecular weight is 181.2316.
Physical properties of Ethanol,2-[(4-methoxyphenyl)methylamino]-: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.97; (4)ACD/LogD (pH 7.4): -0.76; (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): 1.41; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 52.24 cm3; (15)Molar Volume: 169 cm3; (16)Polarizability: 20.71×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.071 g/cm3; (19)Flash Point: 153.1 °C; (20)Enthalpy of Vaporization: 60.38 kJ/mol; (21)Boiling Point: 329.5 °C at 760 mmHg; (22)Vapour Pressure: 7.09E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)CNCCO)C
(2)InChI: InChI=1/C10H15NO2/c1-13-10-4-2-9(3-5-10)8-11-6-7-12/h2-5,11-12H,6-8H2,1H3
(3)InChIKey: UBLCRUHXSMDNQZ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H15NO2/c1-13-10-4-2-9(3-5-10)8-11-6-7-12/h2-5,11-12H,6-8H2,1H3
(5)Std. InChIKey: UBLCRUHXSMDNQZ-UHFFFAOYSA-N
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