Bialamicol

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Basic information

CAS: 493-75-4
Standard SMILES: C=CCc1cc(-c2cc(CC=C)c(O)c(CN(CC)CC)c2)cc(CN(CC)CC)c1O
InChIKey: DQNIWUUHJSXGHW-UHFFFAOYSA-N
Molecular formula: C28H40N2O2
Average molar mass: 436.6 g/mol
Monoisotopic mass: 436.30897852

Overview

Bialamicol is a member of hydroxybiphenyls.

Names & identifiers

Preferred name: Bialamicol
IUPAC: 2-(diethylaminomethyl)-4-[3-(diethylaminomethyl)-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenol
English name: bialamicol
Molecular formula: C28H40N2O2
Molecular weight: 436.63

Names & synonyms

BIALAMICOLCamoform493-75-4BiallylamicolGNF-Pf-43032-(diethylaminomethyl)-4-[3-(diethylaminomethyl)-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenolCT 871TA5NM093QJBiallylamicol dihydrochlordeSN-6771PAA-7013,3'-Bis((diethylamino)methyl)-5,5'-di-2-propenyl-(1,1'-biphenyl)-4,4'-diolBialamicolum

Show more names

bialamicol USP/EP/BP3,3-diallyl-5,5-bis(diethylaminomethyl)biphenyl-4,4-diol3,3'-Bis[(diethylamino)methyl]-5,5'-di-allyl-biphenyl-4,4'-diol5,5'-Bis(diethylaminomethyl)-3,3'-diallyl-1,1'-biphenyl-4,4'-diol5,5'-Diallyl-3,3'-bis[(diethylamino)methyl]-4,4'-dihydroxybiphenyl3,3'-Bis[(diethylamino)methyl]-5,5'-di-2-propen-1-yl[1,1'-biphenyl]-4,4'-diol[1,1'-Biphenyl]-4,4'-diol, 3,3'-bis[(diethylamino)methyl]-5,5'-di-2-propen-1-yl-2-allyl-4-[3-allyl-5-(diethylaminomethyl)-4-hydroxy-phenyl]-6-(diethylaminomethyl)phenol

5,5'-Diallyl-.alpha.,.alpha.'-bis(diethylamino)-m,m'-bitolyl-4,4'-diolBialamicol [INN:BAN]Bialamicolum [INN-Latin]UNII-TA5NM093QJ(1,1'-Biphenyl)-4,4'-diol, 3,3'-bis((diethylamino)methyl)-5,5'-di-2-propenyl-[1,1'-Biphenyl]-4,4'-diol, 3,3'-bis[(diethylamino)methyl]-5,5'-di-2-propenyl-PAA 701SN 6771

Database identifiers

CAS: 493-75-4
PubChem CID: 10304
DTXSID: DTXSID60197763
ChEMBL: CHEMBL1197792
ChEBI: CHEBI:135712
UNII: TA5NM093QJ
Nikkaji: J6.070D

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 46.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 13
Heavy atoms: 32
Formal charge: 0
Complexity: 498

Physicochemical properties

Boiling point: 506.6 · 506.6±45.0 °C(Predicted)
Density: 1.04 · 1.040±0.06 g/cm3(Predicted)
pka: 9.67 · 9.67±0.50(Predicted)
FDA UNII: 5 NM093QJ · TA5NM093QJ

Chemistry & industry

Applications

UsesAnti-amebic.

Upstream & downstream products

Upstream raw materials

Additional notes

DefinitionChEBI: Bialamicol is a member of hydroxybiphenyls.

Related reactions

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Compound notes

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