3261-62-9 | 4-Methylphenethylamine

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$13.00	$9.00
5g	95%	in stock	$23.00	$16.00
10g	95%	in stock	$42.00	$30.00
25g	95%	in stock	$70.00	$49.00
100g	95%	in stock	$239.00	$167.00

Description

• Catalog Number: AB68005
• Chemical Name: 4-Methylphenethylamine
• CAS Number: 3261-62-9
• Molecular Formula: C9H13N
• Molecular Weight: 135.20621999999997
• MDL Number: MFCD00008195
• SMILES: NCCc1ccc(cc1)C
• NSC Number: 30278

Computed Properties

• Complexity: 82.7
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 1.6

Literature

• Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1.

  Bioorganic & medicinal chemistry 20080801

• Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.

  Journal of medicinal chemistry 20050602

• Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.

  Journal of medicinal chemistry 20050127

• Regioselective enzyme-catalyzed synthesis of sophorolipid esters, amides, and multifunctional monomers.

  The Journal of organic chemistry 20030711

• More potent inhibition of human CYP2A6 than mouse CYP2A5 enzyme activities by derivatives of phenylethylamine and benzaldehyde.

  Xenobiotica; the fate of foreign compounds in biological systems 20030501