1-[4-(Butylamino)phenyl]ethanone

Substructure search Find similar structures

Basic information

CAS: 99433-24-6
Standard SMILES: CCCCNc1ccc(C(C)=O)cc1
InChIKey: IKCJPNPQDRZXHN-UHFFFAOYSA-N
Molecular formula: C12H17NO
Average molar mass: 191.27 g/mol
Monoisotopic mass: 191.13101417

Names & identifiers

Preferred name: 1-[4-(Butylamino)phenyl]ethanone
IUPAC: 1-[4-(butylamino)phenyl]ethanone
English name: 1-[4-(butylamino)phenyl]ethanone
Molecular formula: C12H17NO
Molecular weight: 191.26948

Names & synonyms

1-[4-(butylamino)phenyl]ethanone99433-24-6Ethanone, 1-[4-(butylamino)phenyl]-1-[4-(butylamino)phenyl]ethan-1-oneSCHEMBL10997394DTXSID90428512AN-651/43284957

Database identifiers

CAS: 99433-24-6
PubChem CID: 7304601
DTXSID: DTXSID90428512
Nikkaji: J1.928.502B

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 171

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…