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132020

Sigma-Aldrich

2-(p-Tolyl)ethylamine

97%

Synonym(s):

4-Methylphenethylamine

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About This Item

Linear Formula:
CH3C6H4CH2CH2NH2
CAS Number:
3261-62-9
Molecular Weight:
135.21
EC Number:
221-865-2
MDL number:
MFCD00008195
UNSPSC Code:
12352100
PubChem Substance ID:
24847541
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.527 (lit.)

bp

214 °C (lit.)

density

0.93 g/mL at 25 °C (lit.)

functional group

amine

SMILES string

Cc1ccc(CCN)cc1

InChI

1S/C9H13N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7,10H2,1H3

InChI key

VKJXAQYPOTYDLO-UHFFFAOYSA-N

Gene Information

human ... CYP1A2(1544)

Related Categories

Application

2-(p-Tolyl)ethylamine was used to prepare secondary amides by amidation of sophorolipid ethyl ester.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

195.8 °F - closed cup

Flash Point(C)

91 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Sanjay K Singh et al.
The Journal of organic chemistry, 68(14), 5466-5477 (2003-07-04)
Novel enzyme-mediated synthetic routes were developed to provide a new family of sophorolipid derivatives and glycolopid-based amphiphilic monomers. These compounds are of great interest for their potential use in immunoregulation, as well as for other biological properties. In the present
Anita H Lewin et al.
Bioorganic & medicinal chemistry, 16(15), 7415-7423 (2008-07-08)
A cell line in which RD-HGA16 cells were stably transfected with the hTAAR 1 receptor was created and utilized to carry out a systematic evaluation of a series of beta-phenethylamines. Fair agreement was observed with data obtained for aryl and
Minna Rahnasto et al.
Journal of medicinal chemistry, 48(2), 440-449 (2005-01-22)
The purpose of this study was to develop screening and in silico modeling methods to obtain accurate information on the active center of CYP2A6, a nicotine oxidizing enzyme. The inhibitory potencies of 26 naphthalene and 16 non-naphthalene derivatives were determined
Laura E Korhonen et al.
Journal of medicinal chemistry, 48(11), 3808-3815 (2005-05-27)
The purpose of this study was to determine the cytochrome P450 1A2 (CYP1A2) inhibition potencies of structurally diverse compounds to create a comprehensive three-dimensional quantitative structure-activity relationship (3D-QSAR) model of CYP1A2 inhibitors and to use this model to predict the

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