Name: Name:4-[(Diethylamino)methyl]benzonitrile
Brand: AABLOCKS
SKU: AA00IBUF
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00IBUF

Chemical Name: 4-[(Diethylamino)methyl]benzonitrile

CAS Number: 69293-74-9

Molecular Formula: C12H16N2

Molecular Weight: 188.2688

MDL Number: MFCD09948026

SMILES: CCN(Cc1ccc(cc1)C#N)CC

Properties

Complexity: 192

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 14

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.2

Downstream Synthesis Route

69293-74-9

84227-70-3

[1]Rajapakse,ChandimaS.K.;Lisai,Maryna;Deregnaucourt,Christiane;Sinou,Véronique;Latour,Christine;Roy,Dipankar;Schrével,Joseph;Sánchez-Delgado,RobertoA.[PLoSONE,2015,vol.10,#10]

[2]Funke;Rougeaux[BulletindelaSocieteChimiquedeFrance,1945,vol.<5>12,p.1050,1055]

69293-74-9

62642-59-5

[1]CurrentPatentAssignee:PFIZERINC-US2406627,1942,A

109-89-7

17201-43-3

69293-74-9

[1]Rajapakse,ChandimaS.K.;Lisai,Maryna;Deregnaucourt,Christiane;Sinou,Véronique;Latour,Christine;Roy,Dipankar;Schrével,Joseph;Sánchez-Delgado,RobertoA.[PLoSONE,2015,vol.10,#10]

[2]Funke;Rougeaux[BulletindelaSocieteChimiquedeFrance,1945,vol.<5>12,p.1050,1055]CurrentPatentAssignee:PFIZERINC-US2406627,1942,A

[3]Funke;Rougeaux[BulletindelaSocieteChimiquedeFrance,1945,vol.<5>12,p.1050,1055]CurrentPatentAssignee:PFIZERINC-US2406627,1942,A

70135-28-3

109-89-7

4381-02-6

6292-62-2

69293-74-9

104-85-8

4-(2-Ethylamino-propyl)-benzonitrile

[1]Tomioka,Hideo;Tabayashi,Kazuo;Izava,Yasuji[JournaloftheChemicalSociety.Chemicalcommunications,1985,#13,p.906-907]

70135-28-3

109-89-7