2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaene | CAS No. 3964-81-6

2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaene

Basic Information

CAS Number

3964-81-6

Molecular Formula

C20H22N2

Molecular Weight

290.41 g/mol

AD

Basic Physical Properties

Melting Point

124-126°

Boiling Point

450.1 °C at 760 mmHg

Flash Point

226 °C

CN1CCC(=C2C3=CC=CC=C3CCC4=C2N=CC=C4)CC1

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

InChIKey

SEBMTIQKRHYNIT-UHFFFAOYSA-N

LogP

3.7077000000000027

Topological Polar Surface Area

16.130000000000003 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

417

Synonyms & References

English

  • EN300-127917
  • Tox21_112982_1
  • AB01563291_02
  • Tox21_112982
  • BDBM22868
  • CHEBI:2946
  • 3964-81-6
  • AZATADINE [MI]
  • UNII-94Z39NID6C
  • 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaene
  • 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 6,11-dihydro-11-(1-methyl-4-piperidinylidene)-
  • AzatadineMaleate
  • Trinalin
  • 94Z39NID6C
  • 6,11-Dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine
  • Dimethyl-2-propynylsulfonium bromide
  • L001081
  • 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
  • 11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
  • AZATADINE [WHO-DD]
  • 11-(1-methylpiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[3,4-b]pyridine
  • Azatidine
  • AZATADINE
  • D07482
  • DTXSID6022636
  • 11-(1-Methyl-4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine #
  • GTPL7119
  • 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0,3,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
  • FT-0662374
  • CS-2047
  • 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene

MDL Number

MFCD00242591

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaene (CAS: 3964-81-6)?

The compound falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and is subject to regulatory guidelines under the REACH regulations. It may also require specific handling according to the FDA and EPA for safety and environmental protection. Detailed information on specific hazards, risk phrases, and safety measures can be found in the Material Safety Data Sheet (MSDS).

Are there alternatives to 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaene (CAS: 3964-81-6) in synthesis?

Synthesizers may opt for alternative reagents such as derivatives of piperidine or other azatricyclic compounds to avoid using this specific compound. Isomers or analogs like 2-(1-ethylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaene might be considered as safer or more readily available alternatives.

What is the market or research trend for 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaene (CAS: 3964-81-6)?

Research trends suggest a growing interest in azatricyclic compounds for their unique structural features and potential applications. Market trends indicate increasing demand in pharmaceuticals and fine chemicals. However, the market for this specific compound may be niche due to its complex structure and limited commercial availability.

How should waste containing 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaene (CAS: 3964-81-6) be handled?

Waste containing this compound should be collected and disposed of in accordance with local regulations. Proper incineration or professional waste disposal services are recommended. Environmental protection precautions include ensuring the waste is neutralized and segregated to prevent contamination of other materials. Safe handling procedures and protective equipment should be used during disposal to ensure compliance with safety standards.

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