β-Methylphenethylamine - CAS 582-22-9

Catalog:	BB029970
Product Name:	β-Methylphenethylamine
CAS:	582-22-9
Synonyms:	2-phenylpropan-1-amine

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2-phenylpropan-1-amine
Description:	β-Methylphenethylamine (CAS# 582-22-9) is a positional isomer of Amphetamine (HCl: A634240), and as a result, has been classified as a doping agent by the World-Anti Doping Agency.
Molecular Weight:	135.21
Molecular Formula:	C9H13N
Canonical SMILES:	CC(CN)C1=CC=CC=C1
InChI:	InChI=1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
InChI Key:	AXORVIZLPOGIRG-UHFFFAOYSA-N
Boiling Point:	210 °C at 760 mmHg
Density:	0.93 g/cm³
Appearance:	Colorless liquid
LogP:	2.44910

Publication Number	Title	Priority Date
US-2021301087-A1	Cationically polymerizable composition	20200330
US-2021175439-A1	Two-dimensional perovskite compositions and devices therefrom	20191202
WO-2021061417-A1	Silicone release coating composition and methods for the preparation and use of same	20190926
WO-2021055612-A1	Substituted imidazole carboxamides and their use in the treatment of medical disorders	20190917
WO-2020255844-A1	Curable composition, cured product, and adhesive	20190618

PMID	Publication Date	Title	Journal
21862021	20120406	Derivatization of the tricarboxylic acid cycle intermediates and analysis by online solid-phase extraction-liquid chromatography-mass spectrometry with positive-ion electrospray ionization	Journal of chromatography. A
20405063	20100521	Photostability of amino acids: photodissociation dynamics of phenylalanine chromophores	Physical chemistry chemical physics : PCCP
19496136	20100201	Resolution of (+/-)-beta-methylphenylethylamine by a novel chiral stationary phase for Pirkle-type column chromatography	Chirality
19962438	20100201	Transport of phenylethylamine at intestinal epithelial (Caco-2) cells: mechanism and substrate specificity	European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V
19126212	20090106	Thermogenic effect of an acute ingestion of a weight loss supplement	Journal of the International Society of Sports Nutrition

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	84.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.104799419
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	135.104799419
Rotatable Bond Count:	2
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2