3-Benzylpyridazine

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Basic information

CAS: 60905-93-3
Standard SMILES: c1ccc(Cc2cccnn2)cc1
InChIKey: VSAGNNLBESKHMW-UHFFFAOYSA-N
Molecular formula: C11H10N2
Average molar mass: 170.21 g/mol
Monoisotopic mass: 170.08439833

Names & identifiers

Preferred name: 3-Benzylpyridazine
IUPAC: 3-benzylpyridazine

Names & synonyms

3-Benzylpyridazine60905-93-3DTXSID00344592RefChem:277075DTXCID10295667VSAGNNLBESKHMW-UHFFFAOYSA-NPhenylmethylpyridazinSCHEMBL2129775SCHEMBL11107811SCHEMBL28210941

Database identifiers

CAS: 60905-93-3
PubChem CID: 598149
DTXSID: DTXSID00344592
Nikkaji: J372.350J

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 141

Related reactions

3 records

New reaction record

HRID 135185As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1833836As reactantuspto-grants-1978_01

HRID 1833842As productuspto-grants-1978_01

Compound notes

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