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123431-31-2

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Basic Information
CAS No.: 123431-31-2
Name: 1-(4-Chloro-2,5-dimethoxyphenyl)-2-aminopropaneHCL
Article Data: 2
Molecular Structure:
Molecular Structure of 123431-31-2 (1-(4-Chloro-2,5-dimethoxyphenyl)-2-aminopropaneHCL)
Formula: C11H16ClNO2
Molecular Weight: 229.707
Synonyms: 4-Chloro-2,5-dimethoxyamphetamine;
Density: 1.133 g/cm3
Boiling Point: 324.729 °C at 760 mmHg
Flash Point: 150.191 °C
PSA: 44.48000
LogP: 2.94720
Raw Materials
2801-68-5
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Specification

The Benzeneethanamine,4-chloro-2,5-dimethoxy-α-methyl-, with the CAS registry number 123431-31-2, is also known as 2,5-Dimethoxy-4-chloroamphetamine. Its molecular formula is C11H16ClNO2 and its molecular weight is 266.16418. Additionally, it has the systematic name 1-(4-chloro-2,5-dimethoxyphenyl)propan-2-amine. 

Other characteristics of the Benzeneethanamine,4-chloro-2,5-dimethoxy-α-methyl- can be summarised as followings: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.57; (4)ACD/LogD (pH 7.4): 0.48; (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): 5.43; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 62.18 cm3; (15)Molar Volume: 202.7 cm3; (16)Polarizability: 24.65×10-24cm3; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.132 g/cm3; (19)Flash Point: 150.2 °C; (20)Enthalpy of Vaporization: 56.68 kJ/mol; (21)Boiling Point: 324.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000241 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Clc1cc(OC)c(cc1OC)CC(N)C
2.InChI: InChI=1/C11H16ClNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
3.InChIKey: ACRITBNCBMTINK-UHFFFAOYAQ