1-(4-chlorophenyl)-3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]guanidine

Base Information

• Chemical Name: 1-(4-chlorophenyl)-3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]guanidine
• CAS No.: 144301-94-0
• Molecular Formula: C20H18 Cl N5 O2
• Molecular Weight: 395.8422
• UNII: 9B1I77MS94
• DSSTox Substance ID: DTXSID501107038
• Nikkaji Number: J638.813B
• Wikidata: Q27272290
• ChEMBL ID: CHEMBL44340
• Mol file: 144301-94-0.mol

Synonyms:1-(4-chlorophenyl)-3-cyano-2-((3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl)guanidine;BMS 180426;BMS 180448;BMS-180426;BMS-180448

Chemical Property of 1-(4-chlorophenyl)-3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]guanidine

Chemical Property:

• Vapor Pressure: 4.14E-13mmHg at 25°C
• Boiling Point: 554°Cat760mmHg
• Flash Point: 288.9°C
• Density: 1.34g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 395.1149025
• Heavy Atom Count: 28
• Complexity: 685

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N=C(NC#N)NC3=CC=C(C=C3)Cl)O)C
• Isomeric SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N=C(NC#N)NC3=CC=C(C=C3)Cl)O)C

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