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134765-72-3

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Basic Information
CAS No.: 134765-72-3
Name: Tetraaza-12-crown-4 tetrahydrogensulfate
Article Data: 2
Molecular Structure:
Molecular Structure of 134765-72-3 (Tetraaza-12-crown-4 tetrahydrogensulfate)
Formula: C8H28N4O16S4
Molecular Weight: 564.59
Synonyms: TETRAAZA-12-CROWN-4 TETRAHYDROGENSULFATE
Boiling Point: 283.8 °C at 760 mmHg
Flash Point: 129.5 °C
PSA: 380.04000
LogP: 1.38560
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Specification

The Tetraaza-12-crown-4 tetrahydrogensulfate, with CAS registry number 134765-72-3, has the systematic name of 1,4,7,10-tetraazacyclododecane tetrasulfate. Its molecular weight is 564.59. And the chemical formula of this chemical is C8H28N4O16S4.

Physical properties of Tetraaza-12-crown-4 tetrahydrogensulfate: (1)ACD/LogP: -2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.44; (4)ACD/LogD (pH 7.4): -6.43; (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: 4; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.96 Å2; (13)Flash Point: 129.5 °C; (14)Enthalpy of Vaporization: 52.28 kJ/mol; (15)Boiling Point: 283.8 °C at 760 mmHg; (16)Vapour Pressure: 0.00309 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.N1CCNCCNCCNCC1
(2)InChI: InChI=1/C8H20N4.4H2O4S/c1-2-10-5-6-12-8-7-11-4-3-9-1;4*1-5(2,3)4/h9-12H,1-8H2;4*(H2,1,2,3,4)
(3)InChIKey: UDDORTWORGMVNZ-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H20N4.4H2O4S/c1-2-10-5-6-12-8-7-11-4-3-9-1;4*1-5(2,3)4/h9-12H,1-8H2;4*(H2,1,2,3,4)
(5)Std. InChIKey: UDDORTWORGMVNZ-UHFFFAOYSA-N