CAS No.3964-81-6,AzatadineMaleate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3964-81-6
Name:	AzatadineMaleate
Article Data:	5

Formula:	C₂₀H₂₂N₂
Molecular Weight:	290.408
Synonyms:	5H-Benzo[5,6]cyclohepta[1,2-b]pyridine,6,11-dihydro-11-(1-methyl-4-piperidylidene)- (7CI,8CI);6,11-Dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta-[1,2-b]pyridine;Azatadine;
EINECS:	223-615-8
Density:	1.127 g/cm³
Melting Point:	124-126ºC
Boiling Point:	450.1 °C at 760 mmHg
Flash Point:	226 °C
Appearance:	White or off-white crystalline powder
PSA:	16.13000
LogP:	3.64560

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Specification

The CAS register number of 6,11-Dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine is 3964-81-6. It also can be called as Azatadine and the systematic name about this chemical is 11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine. The molecular formula about this chemical is C₂₀H₂₂N₂and molecular weight is 290.40. Classification code about this chemical are Histamine Agents, Histamine Antagonists, Histamine H1 antagonists and Neurotransmitter Agents. This chemical is an antihistamine and anticholinergic.

Physical properties about 6,11-Dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine are: (1)ACD/LogP: 4.97; (2)ACD/LogD (pH 5.5): 1.98; (3)ACD/LogD (pH 7.4): 3.28; (4)ACD/BCF (pH 5.5): 3.63; (5)ACD/BCF (pH 7.4): 71.88; (6)ACD/KOC (pH 5.5): 12.41; (7)ACD/KOC (pH 7.4): 245.78; (8)#H bond acceptors: 2; (9)Polar Surface Area: 16.13Å²; (10)Index of Refraction: 1.616; (11)Molar Refractivity: 90.08 cm³; (12)Molar Volume: 257.4 cm³; (13)Polarizability: 35.71x10^-24cm³; (14)Surface Tension: 47.9 dyne/cm; (15)Enthalpy of Vaporization: 70.89 kJ/mol; (16)Boiling Point: 450.1 °C at 760 mmHg; (17)Vapour Pressure: 2.71E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n4c3\C(=C1/CCN(C)CC1)c2ccccc2CCc3ccc4
(2)InChI: InChI=1/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3
(3)InChIKey: SEBMTIQKRHYNIT-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3
(5)Std. InChIKey: SEBMTIQKRHYNIT-UHFFFAOYSA-N