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58520-45-9

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Basic Information
CAS No.: 58520-45-9
Name: MESO-1,2-BIS(4-METHOXYPHENYL)ETHYLENEDIAMINE
Article Data: 2
Molecular Structure:
Molecular Structure of 58520-45-9 (MESO-1,2-BIS(4-METHOXYPHENYL)ETHYLENEDIAMINE)
Formula: C16H20N2O2
Molecular Weight: 272.347
Synonyms: 1,2-Ethanediamine,1,2-bis(4-methoxyphenyl)-, (R*,S*)-;meso-1,2-Bis(4-methoxyphenyl)ethylenediamine;
Density: 1.135±0.06 g/cm3(Predicted)
Melting Point: 148-152°C
Boiling Point: 438.2 °C at 760 mmHg
Flash Point: 231.9 °C
Appearance: white to off-white crystals, crystalline
Hazard Symbols: Xn,Xi
Risk Codes: 22-36/37/38
Safety: 26-36
PSA: 70.50000
LogP: 3.80420
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Specification

This chemical is called (1R,2S)-1,2-Bis(4-methoxyphenyl)ethane-1,2-diaminium, and it can also be named as meso-1,2-Bis(4-methoxyphenyl)ethylenediamine. With the molecular formula of C16H20N2O2, its molecular weight is 272.34. The CAS registry number of this chemical is 58520-45-9. Additionally, this chemical should be sealed in the cool and dry environment.

Other characteristics of the (1R,2S)-1,2-Bis(4-methoxyphenyl)ethane-1,2-diaminium can be summarised as followings: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 18.46 Å2; (7)Flash Point: 231.9 °C; (8)Enthalpy of Vaporization: 69.5 kJ/mol; (9)Boiling Point: 438.2 °C at 760 mmHg; (10)Vapour Pressure: 7.01E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O(c1ccc(cc1)[C@@H]([NH3+])[C@H](c2ccc(OC)cc2)[NH3+])C
2.InChI:InChI=1/C16H20N2O2/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15-16H,17-18H2,1-2H3/p+2/t15-,16+
3.InChIKey: ZWMPRHYHRAUVGY-CIGSNUJCBV