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121082-99-3

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Basic Information
CAS No.: 121082-99-3
Name: 1-(3,4,5-TRIMETHOXY-PHENYL)-ETHYLAMINE
Article Data: 3
Molecular Structure:
Molecular Structure of 121082-99-3 (1-(3,4,5-TRIMETHOXY-PHENYL)-ETHYLAMINE)
Formula: C11H17NO3
Molecular Weight: 211.261
Synonyms: 1-(3, 4, 5-Trimethoxyphenyl)ethanamine;
Density: 1.063 g/cm3
Boiling Point: 305.8 °C at 760 mmHg
Flash Point: 140.7 °C
Hazard Symbols: CorrosiveC, IrritantXi
Risk Codes:  C,Xi:;
">  C,Xi:;
PSA: 53.71000
LogP: 2.43240
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Specification

The Benzenemethanamine, 3, 4, 5-trimethoxy-α-methyl-, with the CAS registry number of 121082-99-3, is also known as 1-(3, 4, 5-Trimethoxyphenyl)ethan-1-amine. This chemical's molecular formula is C11H17NO3 and molecular weight is 211.26. What's more, its systematic name is called 1-(3, 4, 5-Trimethoxyphenyl)ethanamine. In addition, this chemical may destroy living tissue on contact. And it may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzenemethanamine, 3, 4, 5-trimethoxy-α-methyl- are: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.19; (4)ACD/LogD (pH 7.4): -1.39; (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; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 30.93 Å2; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 59.37 cm3; (15)Molar Volume: 198.6 cm3; (16)Surface Tension: 34.5 dyne/cm; (17)Density: 1.063 g/cm3; (18)Flash Point: 140.7 °C; (19)Enthalpy of Vaporization: 54.63 kJ/mol; (20)Boiling Point: 305.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000801 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cc(cc(OC)c1OC)C(N)C)C
(2) InChI: InChI=1/C11H17NO3/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-7H,12H2,1-4H3
(3) InChIKey: WYQUYSRUIVFEII-UHFFFAOYAU