4-Benzylpyridazine

HCID 598415

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 53074-22-9
Standard SMILES: c1ccc(Cc2ccnnc2)cc1
InChIKey: DQWIPVDHLUQZBV-UHFFFAOYSA-N
Molecular formula: C11H10N2
Average molar mass: 170.21 g/mol
Monoisotopic mass: 170.08439832

Names & identifiers

Preferred name: 4-Benzylpyridazine
IUPAC: 4-benzylpyridazine

Names & synonyms

4-Benzylpyridazine53074-22-9DTXSID50344628RefChem:290363DTXCID10295703DQWIPVDHLUQZBV-UHFFFAOYSA-NSCHEMBL1985814

Database identifiers

CAS: 53074-22-9
PubChem CID: 598415
DTXSID: DTXSID50344628

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

8 records

New reaction record

HRID 91700As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 339709As productuspto-grants-2014_11

HRID 339710As reactantuspto-grants-2014_11

HRID 512192As productuspto-grants-2015_08

HRID 512193As reactantuspto-grants-2015_08

HRID 1258113As productuspto-grants-2013_06

HRID 1258114As reactantuspto-grants-2013_06

HRID 2138802As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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