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Benzylideneaniline

CAT: 0013-GTR19216660-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19216660-01Size:1 g
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Description
Benzylideneaniline is a potent inhibitor of lignostilbene-α, β-dioxygenase, a key enzyme in oxidative cleavage of the central double bond of lignostilbene.
CAS Number
538-51-2
Product Name Alternative
N-Benzylideneaniline
Purity
>98% (HPLC)
Smiles
C (=N/c1ccccc1) \c1ccccc1
Molecular Formula
C13H11N
Molecular Weight
181.238
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

N-Benzylideneaniline
CAS Number538-51-2
PubChem CID10858
IUPAC NameN,1-diphenylmethanimine
Molecular FormulaC13H11N
Molecular Weight181.23
XLogP2.8
Topological Polar Surface Area12.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity174
SMILES
C1=CC=C(C=C1)C=NC2=CC=CC=C2
InChI
InChI=1S/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H
InChIKey
UVEWQKMPXAHFST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Benzylideneaniline
CAS: 538-51-2
CID: 10858
Formula: C13H11N
MW: 181.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.23
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass181.089149355
Monoisotopic Mass181.089149355
Topological Polar Surface Area12.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
591745Benzylideneaniline
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OR1008367-01(E) -N-Benzylideneaniline

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