4-(Methylbenzylamino)-3-butene-2-one

Base Information

• Chemical Name: 4-(Methylbenzylamino)-3-butene-2-one
• CAS No.: 90054-90-3
• Molecular Formula: C12H15NO
• DSSTox Substance ID: DTXSID401223091
• Nikkaji Number: J1.635.746D

Synonyms:4-(Methylbenzylamino)-3-butene-2-one;DTXSID401223091;90054-90-3;3-Buten-2-one, 4-[methyl(phenylmethyl)amino]-, (E)-

Chemical Property of 4-(Methylbenzylamino)-3-butene-2-one

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 189.115364102
• Heavy Atom Count: 14
• Complexity: 204

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C=CN(C)CC1=CC=CC=C1
• Isomeric SMILES: CC(=O)/C=C/N(C)CC1=CC=CC=C1

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