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100370-59-0

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Basic Information
CAS No.: 100370-59-0
Name: 2-(3',4'-DIMETHOXY-PHENYL)MORPHOLINE
Molecular Structure:
Molecular Structure of 100370-59-0 (2-(3',4'-DIMETHOXY-PHENYL)MORPHOLINE)
Formula: C12H17NO3
Molecular Weight: 223.272
Synonyms: 2-(3,4-dimethoxyphenyl)morpholine;
Density: 1.085 g/cm3
Boiling Point: 343.668 °C at 760 mmHg
Flash Point: 139.045 °C
Appearance: White or off-white crystal powder
PSA: 39.72000
LogP: 1.69350
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Specification

The Morpholine, 2-(3,4-dimethoxyphenyl)- is an organic compound with the formula C12H17NO3. It belongs to the product category of Catechol Derivatives. With the CAS registry number 100370-59-0, its systematic name is 2-(3,4-dimethoxyphenyl)morpholine.

Physical properties of Morpholine, 2-(3,4-dimethoxyphenyl)-: (1)ACD/LogP: 0.91; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 6.612; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.507; (10)Molar Refractivity: 61.202 cm3; (11)Molar Volume: 205.719 cm3; (12)Surface Tension: 36.118 dyne/cm; (13)Density: 1.085 g/cm3; (14)Flash Point: 139.045 °C; (15)Enthalpy of Vaporization: 58.755 kJ/mol; (16)Boiling Point: 343.668 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1OC)C2CNCCO2
(2)InChI: InChI=1/C12H17NO3/c1-14-10-4-3-9(7-11(10)15-2)12-8-13-5-6-16-12/h3-4,7,12-13H,5-6,8H2,1-2H3
(3)InChIKey: CPYOKVZNTDIYDO-UHFFFAOYAG