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CAS No.: | 27311-52-0 |
---|---|
Name: | Bis(5-Amino-2-hydroxyphenyl)methan dihydrochloride |
Molecular Structure: | |
Formula: | C13H14N2O2.2(HCl) |
Molecular Weight: | 303.19 |
Synonyms: | Phenol,2,2'-methylenebis[4-amino-, dihydrochloride (6CI,8CI,9CI); |
EINECS: | 922-266-5 |
Density: | 1.33 at 20℃ |
Melting Point: | >300 °C |
Boiling Point: | 554.7 °C at 760 mmHg |
Flash Point: | 289.3 °C |
PSA: | 92.50000 |
LogP: | 4.61940 |
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The Bis(5-Amino-2-hydroxyphenyl)methan dihydrochloride is an organic compound with the formula C13H14N2O2.2(HCl). The systematic name of this chemical is 2,2'-methanediylbis(4-aminophenol) dihydrochloride. With the CAS registry number 27311-52-0, it is also named as phenol, 2,2'-methylenebis[4-amino-, hydrochloride (1:2). In addition, the formula weight is 303.19.
The other characteristics of Bis(5-Amino-2-hydroxyphenyl)methan dihydrochloride can be summarized as: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4; (5)ACD/KOC (pH 7.4): 9; (6)#H bond acceptors: 4; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 6 ; (9)Polar Surface Area: 92.5 Å2; (10)Flash Point: 289.3 °C; (11)Enthalpy of Vaporization: 86.7 kJ/mol; (12)Boiling Point: 554.7 °C at 760 mmHg; (13)Vapour Pressure: 6.53E-13 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:Cl.Cl.Oc2ccc(N)cc2Cc1cc(N)ccc1O
2. InChI:InChI=1/C13H14N2O2.2ClH/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17;;/h1-4,6-7,16-17H,5,14-15H2;2*1H
3. InChIKey:WKERZZAEPVPFPO-UHFFFAOYAZ
4. Std. InChI:InChI=1S/C13H14N2O2.2ClH/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17;;/h1-4,6-7,16-17H,5,14-15H2;2*1H
5. Std. InChIKey:WKERZZAEPVPFPO-UHFFFAOYSA-N