6,11-Dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine supplier

Name
AzatadineMaleate
EINECS 223-615-8
CAS No. 3964-81-6
Article Data5
CAS DataBase
Density 1.127 g/cm³
Solubility
Melting Point 124-126ºC
Formula C₂₀H₂₂N₂
Boiling Point 450.1 °C at 760 mmHg
Molecular Weight 290.408
Flash Point 226 °C
Transport Information
Appearance White or off-white crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 16.13000
LogP 3.64560

6,11-Dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine 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

Product Name

AzatadineMaleate

6,11-Dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine Specification

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