Benzobutamine

Base Information

• Chemical Name: Benzobutamine
• CAS No.: 3562-48-9
• Molecular Formula: C20H25NO2
• Molecular Weight: 311.418
• UNII: X958N7N4IM
• Nikkaji Number: J8.139F
• Wikidata: Q27293712
• Mol file: 3562-48-9.mol

Synonyms:benzobutamine;Benzobutamin;Benzobutamine [WHO-DD];UNII-X958N7N4IM;X958N7N4IM;3562-48-9;Phenethyl alcohol, beta-((dimethylamino)methyl)-beta-ethyl-, benzoate;Benzeneethanol, beta-((dimethylamino)methyl)-beta-ethyl-, benzoate (ester);Phenethyl alcohol, beta-((dimethylamino)methyl)-beta-ethyl-, benzoate (ester);BENZENEETHANOL, .BETA.-((DIMETHYLAMINO)METHYL)-.BETA.-ETHYL-, BENZOATE (ESTER);Benzeneethanol, .beta.-[(dimethylamino)methyl]-.beta.-ethyl-, benzoate (ester);Q27293712;PHENETHYL ALCOHOL, .BETA.-((DIMETHYLAMINO)METHYL)-.BETA.-ETHYL-, BENZOATE;PHENETHYL ALCOHOL, .BETA.-((DIMETHYLAMINO)METHYL)-.BETA.-ETHYL-, BENZOATE (ESTER);Phenethyl alcohol, .beta.-[(dimethylamino)methyl]-.beta.-ethyl-,benzoate (ester)

Chemical Property of Benzobutamine

Chemical Property:

• PSA: 29.54000
• LogP: 3.75300
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 311.188529040
• Heavy Atom Count: 23
• Complexity: 357

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CCC(CN(C)C)(COC(=O)C1=CC=CC=C1)C2=CC=CC=C2

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