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74220-10-3

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Basic Information
CAS No.: 74220-10-3
Name: Acetic acid,2,2'-[(4,4'-diamino[1,1'-biphenyl]-3,3'-diyl)bis(oxy)]bis-, dipotassium salt(9CI)
Molecular Structure:
Molecular Structure of 74220-10-3 (Acetic acid,2,2'-[(4,4'-diamino[1,1'-biphenyl]-3,3'-diyl)bis(oxy)]bis-, dipotassium salt(9CI))
Formula: C16H14K2N2O6
Molecular Weight: 408.49
Synonyms: dipotassium 2,2'-[(4,4'-diaminobiphenyl-3,3'-diyl)bis(oxy)]diacetate;
EINECS: 277-771-7
Boiling Point: 586.1 °C at 760 mmHg
Flash Point: 308.3 °C
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Specification

The Acetic acid,2,2'-[(4,4'-diamino[1,1'-biphenyl]-3,3'-diyl)bis(oxy)]bis-, dipotassium salt(9CI) has the CAS registry number 74220-10-3. Its EINECS number is 277-771-7. This chemical's molecular formula is C16H14K2N2O6 and molecular weight is 408.49. What's more, its systematic name is dipotassium 2,2'-[(4,4'-diaminobiphenyl-3,3'-diyl)bis(oxy)]diacetate. 

Physical properties of Acetic acid,2,2'-[(4,4'-diamino[1,1'-biphenyl]-3,3'-diyl)bis(oxy)]bis-, dipotassium salt(9CI) are: (1)ACD/LogP: -0.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.63; (4)ACD/LogD (pH 7.4): -4.69; (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: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 99.54 Å2; (13)Flash Point: 308.3 °C; (14)Enthalpy of Vaporization: 92.07 kJ/mol; (15)Boiling Point: 586.1 °C at 760 mmHg; (16)Vapour Pressure: 1.4E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: [K+].[K+].[O-]C(=O)COc2c(N)ccc(c1cc(OCC([O-])=O)c(cc1)N)c2
(2)InChI: InChI=1/C16H16N2O6.2K/c17-11-3-1-9(5-13(11)23-7-15(19)20)10-2-4-12(18)14(6-10)24-8-16(21)22;;/h1-6H,7-8,17-18H2,(H,19,20)(H,21,22);;/q;2*+1/p-2
(3)InChIKey: XDEMCXAQVAKJIE-NUQVWONBAS