128937

Sigma-Aldrich

N-Benzylaniline

99%

Synonym(s):
N-Phenylbenzylamine
Linear Formula:
C6H5CH2NHC6H5
CAS Number:
Molecular Weight:
183.25
EC Number:
MDL number:
PubChem Substance ID:

assay

99%

bp

306-307 °C (lit.)

mp

35-38 °C (lit.)

density

1.061 g/mL at 25 °C (lit.)

SMILES string

C(Nc1ccccc1)c2ccccc2

InChI

1S/C13H13N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10,14H,11H2

InChI key

GTWJETSWSUWSEJ-UHFFFAOYSA-N

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Application

N-benzylaniline was used as a potent inhibitor of lignostilbene-α,β-dioxygenase.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN 3335

WGK Germany

3

Flash Point(F)

235.4 °F

Flash Point(C)

113 °C

Certificate of Analysis

Certificate of Origin

Sun-Young Han et al.
Journal of enzyme inhibition and medicinal chemistry, 18(3), 279-283 (2003-09-26)
Lignostilbene-alpha,beta-dioxygenase (LSD, EC 1.13.11.43) is involved in oxidative cleavage of the central double bond of lignostilbene to form the corresponding aldehydes by a mechanism similar to those of 9-cis-epoxycarotenoid dioxygenase and beta-carotene 15,15'-dioxygenase, key enzymes in abscisic acid biosynthesis and...
Weiqiang Zhan et al.
Journal of medicinal chemistry, 50(23), 5655-5664 (2007-10-26)
In light of a proposed molecular mechanism for the C-X-C chemokine receptor type 4 (CXCR4) antagonist 1 (AMD3100), a template with the general structure 2 was designed, and 15 was identified as a lead by means of an affinity binding...
Identification of a new metabolite after incubation of N-benzylaniline with rabbit liver microsomes.
H M Ali et al.
Journal of chromatography, 202(2), 287-293 (1980-12-19)
Masaharu Uno et al.
Organic & biomolecular chemistry, 6(6), 979-981 (2008-03-11)
N-Benzylanilines were designed and synthesized as vascular endothelial growth factor (VEGF)-2 inhibitors using de novo drug design systems based on the X-ray structure of VEGFR-2 kinase domain. Among compounds synthesized, compound showed the most potent inhibitory activity toward VEGFR-2 (KDR)...
Yung-Hung Chang et al.
Dalton transactions (Cambridge, England : 2003), (5)(5), 861-867 (2009-01-22)
Both saturated and unsaturated N-benzyl substituted heterocyclic carbene (NHC) iridum(i) complexes were synthesized. The unsaturated carbene complex [(un-NHC-Bn)Ir(CO)(2)Cl] in the cis form was prepared via the carbene transfer from the corresponding silver complex to [Ir(COD)(2)Cl](2) followed by ligand substitution with...

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