(4-{4-[Butyl(3-phenylpropyl)amino]phenyl}-3-cyano-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)propanedinitrile

Base Information

• Chemical Name: (4-{4-[Butyl(3-phenylpropyl)amino]phenyl}-3-cyano-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)propanedinitrile
• CAS No.: 108948-36-3
• Molecular Formula: C27H25N5O
• Molecular Weight: 435.52000
• European Community (EC) Number: 600-889-0
• DSSTox Substance ID: DTXSID20702892
• Nikkaji Number: J138.265I
• Wikidata: Q82634915
• Mol file: 108948-36-3.mol

Synonyms:108948-36-3;2-[4-[4-[butyl(3-phenylpropyl)amino]phenyl]-3-cyano-5-oxopyrrol-2-ylidene]propanedinitrile;(4-{4-[Butyl(3-phenylpropyl)amino]phenyl}-3-cyano-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)propanedinitrile;2-[4-[4-[N-Butyl-N-(3-phenylpropyl)amino]phenyl]-3-cyano-1,5-dihydro-5-oxo-2H-pyrrol-2-ylidene]malon;DTXSID20702892;GDCPQIKPENJLKR-UHFFFAOYSA-N;C.I. DISPERSE BLUE 365;2-[4-[4-[N-Butyl-N-(3-phenylpropyl)amino]phenyl]-3-cyano-1,5-dihydro-5-oxo-2H-pyrrol-2-ylidene]malononitrile;PROPANEDINITRILE, [4-[4-[BUTYL(3-PHENYLPROPYL)AMINO]PHENYL]-3-CYANO-1,5-DIHYDRO-5-OXO-2H-PYRROL-2-YLIDENE]-

Chemical Property of (4-{4-[Butyl(3-phenylpropyl)amino]phenyl}-3-cyano-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)propanedinitrile

Chemical Property:

• Vapor Pressure: 4.12E-13mmHg at 25°C
• PSA: 103.71000
• LogP: 4.96294
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 435.20591044
• Heavy Atom Count: 33
• Complexity: 901

Purity/Quality:

99.0%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCCC1=CC=CC=C1)C2=CC=C(C=C2)C3=C(C(=C(C#N)C#N)NC3=O)C#N