CAS No.85650-57-3,2,3,4,9-tetrahydro-2-methyl-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridyl maleate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	85650-57-3
Name:	2,3,4,9-tetrahydro-2-methyl-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridyl maleate

Formula:	C₂₃H₂₃NO₄
Molecular Weight:	377.43
Synonyms:	2,3,4,9-Tetrahydro-2-methyl-1H-dibenzo(3,4:6,7)cyclohepta(1,2-c)pyridyl maleate;MO 8282;
EINECS:	288-065-3
Boiling Point:	421.7 °C at 760 mmHg
Flash Point:	185.5 °C
Appearance:	Slight yellow powder
PSA:	77.84000
LogP:	3.48680

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Specification

The Setiptiline maleate, with the CAS registry number 85650-57-3, is also known as Tecipul. Its EINECS registry number is 288-065-3. This chemical's molecular formula is C₂₃H₂₃NO₄ and molecular weight is 377.43. What's more, its systematic name is 2,3,4,9-Tetrahydro-2-methyl-1H-dibenzo(3,4:6,7)cyclohepta(1,2-c)pyridyl maleate. It is slight yellow powder.

Physical properties about Setiptiline maleate: (1)ACD/LogP: 4.792; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 3.81; (5)ACD/BCF (pH 5.5): 5.79; (6)ACD/BCF (pH 7.4): 268.82; (7)ACD/KOC (pH 5.5): 21.61; (8)ACD/KOC (pH 7.4): 1003.18; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å²; (13)Flash Point: 185.5 °C; (14)Enthalpy of Vaporization: 67.57 kJ/mol; (15)Boiling Point: 421.7 °C at 760 mmHg; (16)Vapour Pressure: 2.56E-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.c42c(\C3=C(/c1ccccc1C2)CN(C)CC3)cccc4
(2) InChI: InChI=1S/C19H19N.C4H4O4/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
(3) InChIKey: AVPIBVPBCWBXIU-BTJKTKAUSA-N