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38294-69-8

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Basic Information
CAS No.: 38294-69-8
Name: Phenol, 4,4-(1-methylethylidene)bis-, polymer with N,N-bis(2-aminoethyl)-1,2-ethanediamine and (chloromethyl)oxirane
Molecular Structure:
Molecular Structure of 38294-69-8 (Phenol, 4,4-(1-methylethylidene)bis-, polymer with N,N-bis(2-aminoethyl)-1,2-ethanediamine and (chloromethyl)oxirane)
Formula: C24H39ClN4O3
Molecular Weight: 467.04
Synonyms: DEH 52;N,N'-bis(2-aminoethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol;Bisphenol A, epichlorohydrin, triethylenetetramine polymer;
Boiling Point: 400.8 °C at 760 mmHg
Flash Point: 192.4 °C
PSA: 129.09000
LogP: 4.31310
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Specification

The Phenol,4,4'-(1-methylethylidene)bis-,polymers,polymer with N,N'-bis(2-aminoethyl)-1,2- ethanediamine and (chloromethyl)oxirane , with the CAS registry number 38294-69-8, is also known as Bisphenol A, epichlorohydrin, triethylenetetramine polymer. It belongs to the product category of Polymers. This chemical's molecular formula is C24H39ClN4O3 and molecular weight is 467.04. What's more, its systematic name is N,N'-bis(2-aminoethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol. Its classification code is: TSCA Flag XU.

Physical properties of Phenol,4,4'-(1-methylethylidene)bis-,polymers,polymer with N,N'-bis(2-aminoethyl)-1,2- ethanediamine and (chloromethyl)oxirane  are: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 238.64; (6)ACD/BCF (pH 7.4): 237.55; (7)ACD/KOC (pH 5.5): 1752.23; (8)ACD/KOC (pH 7.4): 1744.19; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Flash Point: 192.4 °C; (14)Enthalpy of Vaporization: 67.72 kJ/mol; (15)Boiling Point: 400.8 °C at 760 mmHg; (16)Vapour Pressure: 5.34E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: ClCC1OC1.Oc1ccc(cc1)C(c2ccc(O)cc2)(C)C.NCCNCCNCCN
(2)InChI: InChI=1/C15H16O2.C6H18N4.C3H5ClO/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;7-1-3-9-5-6-10-4-2-8;4-1-3-2-5-3/h3-10,16-17H,1-2H3;9-10H,1-8H2;3H,1-2H2
(3)InChIKey: DUYOAVQDASZIIB-UHFFFAOYAG