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27059-74-1

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Basic Information
CAS No.: 27059-74-1
Name: [10-[2-(dimethylammonio)propyl]-10H-phenothiazinium] maleate
Molecular Structure:
Molecular Structure of 27059-74-1 ([10-[2-(dimethylammonio)propyl]-10H-phenothiazinium] maleate)
Formula: C21H24N2O4S
Molecular Weight: 400.499
Synonyms: (10-(2-(Dimethylammonio)propyl)-10H-phenothiazinium) maleate;
EINECS: 248-197-4
Boiling Point: 403.7 °C at 760 mmHg
Flash Point: 198 °C
PSA: 106.38000
LogP: 4.01620
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Specification

The CAS register number of But-2-enedioic acid; N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine is 27059-74-1. It also can be called as (10-(2-(Dimethylammonio)propyl)-10H-phenothiazinium) maleate and the systematic name about this chemical is N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine (2Z)-but-2-enedioate. The molecular formula about this chemical is C21H24N2O4S and the molecular weight is 400.49126.

Physical properties about But-2-enedioic acid; N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine are: (1)ACD/LogP: 4.78; (2)ACD/LogD (pH 5.5): 1.87; (3)ACD/LogD (pH 7.4): 3.3; (4)ACD/BCF (pH 5.5): 3.07; (5)ACD/BCF (pH 7.4): 83.45; (6)ACD/KOC (pH 5.5): 11.53; (7)ACD/KOC (pH 7.4): 313.03; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 31.78 Å2; (11)Flash Point: 198 °C; (12)Enthalpy of Vaporization: 65.51 kJ/mol; (13)Boiling Point: 403.7 °C at 760 mmHg; (14)Vapour Pressure: 9.96E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C/C(=O)O.S2c1ccccc1N(c3c2cccc3)CC(N(C)C)C
(2)InChI: InChI=1/C17H20N2S.C4H4O4/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;5-3(6)1-2-4(7)8/h4-11,13H,12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
(3)InChIKey: JSYGKADGBBTFIQ-BTJKTKAUBU
(4)Std. InChI: InChI=1S/C17H20N2S.C4H4O4/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;5-3(6)1-2-4(7)8/h4-11,13H,12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
(5)Std. InChIKey: JSYGKADGBBTFIQ-BTJKTKAUSA-N