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Safety Information

128937

Sigma-Aldrich

N-Benzylaniline

99%

Synonym(s):

N-Phenylbenzylamine

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About This Item

Linear Formula:
C6H5CH2NHC6H5
CAS Number:
103-32-2
Molecular Weight:
183.25
EC Number:
203-100-4
MDL number:
MFCD00003018
UNSPSC Code:
12352100
PubChem Substance ID:
24847880

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.

replaced by

Product No.
Description
Pricing

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

128937-VAR:
128937-100G:
128937-500G:
128937-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
04009DJ
09915AJ
10825AE
16821LG
13906KB

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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
M Ulgen et al.
Xenobiotica; the fate of foreign compounds in biological systems, 24(8), 735-748 (1994-08-01)
1. The in vitro hepatic microsomal metabolism of certain substituted N-benzylanilines was studied in the male hamster to establish the mechanism(s) and process(es) involved in the formation of the corresponding amides. 2. N-Benzyl-2,4,6-trihalogeno, N-benzyl-4-cyano- and N-benzyl-4-nitroanilines were only metabolized by
Synthesis and structure-activity relationships of a class of sodium iodide symporter function inhibitors.
Fanny Waltz et al.
ChemMedChem, 6(10), 1775-1777 (2011-07-14)
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)
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
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