1-(4'-Amino-[1,1'-biphenyl]-3-yl)ethan-1-one

HCID 2756366

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Basic information

CAS: 728918-68-1
Standard SMILES: CC(=O)c1cccc(-c2ccc(N)cc2)c1
InChIKey: UOTIYIKAUHGZPX-UHFFFAOYSA-N
Molecular formula: C14H13NO
Average molar mass: 211.26 g/mol
Monoisotopic mass: 211.09971404

Names & identifiers

Preferred name: 1-(4'-Amino-[1,1'-biphenyl]-3-yl)ethan-1-one
IUPAC: 1-[3-(4-aminophenyl)phenyl]ethanone

Names & synonyms

728918-68-11-(4'-amino-[1,1'-biphenyl]-3-yl)ethan-1-oneSCHEMBL3786461DTXSID801274741MFCD04117383AKOS004116955DB-017260I720121-(4'-Amino[1,1'-biphenyl]-3-yl)ethan-1-oneEthanone, 1-(4'-amino[1,1'-biphenyl]-3-yl)-1-(4a(2)-Amino[1,1a(2)-biphenyl]-3-yl)ethanone1-(4 inverted exclamation marka-Amino[1,1 inverted exclamation marka-biphenyl]-3-yl)ethanone

Database identifiers

CAS: 728918-68-1
PubChem CID: 2756366
DTXSID: DTXSID801274741

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 243

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