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Merck
CN

M70533

1-Methyl-3-phenylpropylamine

98%

Synonym(s):

3-Amino-1-phenylbutane, 4-Phenyl-2-butylamine

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About This Item

Linear Formula:
C6H5CH2CH2CH(NH2)CH3
CAS Number:
22374-89-6
Molecular Weight:
149.23
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24897138
EC Number:
244-942-2
Beilstein/REAXYS Number:
2413110
MDL number:
MFCD00008090

Key Documents

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Product Name

1-Methyl-3-phenylpropylamine, 98%

InChI

1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3

InChI key

WECUIGDEWBNQJJ-UHFFFAOYSA-N

SMILES string

CC(N)CCc1ccccc1

description

Drug Control: Pszichotróp anyag / Psychotropic Substance (Hungary), 78/2022. (XII. 28.) BM rendelet

assay

98%

form

liquid

drug control

Pszichotróp anyag / Psychotropic Substance (Hungary), 78/2022. (XII. 28.) BM rendelet

refractive index

n20/D 1.514 (lit.)

bp

228-232 °C (lit.)

density

0.922 g/mL at 25 °C (lit.)

Quality Level

100

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pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1B

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 2

flash_point_f

208.0 °F

flash_point_c

97.78 °C

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN4267
BCCK8616
BCCH6346
BCCF7914
BCCC2580

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A Changchit et al.
Biological mass spectrometry, 20(12), 751-758 (1991-12-01)
We previously identified 3-amino-1-phenylbutane (APB) as an oxidative N-dealkylated, metabolite of the antihypertensive agent labetalol. Labetalol has two asymmetric centers and is used clinically as a mixture of the four possible stereoisomers; APB has one asymmetric center. We now report
Hui Chen et al.
Journal of the American Chemical Society, 141(12), 4963-4971 (2019-03-06)
Enantiomerically pure chiral amines are of increasing value in the preparation of bioactive compounds, pharmaceuticals, and agrochemicals. ω-Transaminase (ω-TA) is an ideal catalyst for asymmetric amination because of its excellent enantioselectivity and wide substrate scope. To shift the equilibrium of
K Yeleswaram et al.
Drug metabolism and disposition: the biological fate of chemicals, 21(2), 284-292 (1993-03-01)
Labetalol causes significant maternal and fetal metabolic effects in pregnant sheep (Yeleswaram et al., J. Pharmacol. Exp. Ther. 262, 683-691 (1992)). This study was undertaken to investigate the contribution of skeletal muscles in the development of metabolic acidosis induced by
Benedikt Stegmann et al.
Therapeutic drug monitoring, 38(1), 98-107 (2015-09-09)
For psychostimulants, a marked individual variability in the dose-response relationship and large differences in plasma concentrations after similar doses are known. Therefore, optimizing the efficacy of these drugs is at present the most promising way to exploit their full pharmacological
R B Gilbert et al.
Journal of analytical toxicology, 19(2), 84-86 (1995-03-01)
A metabolite of labetalol that is responsible for previous reports of false-positive assays for amphetamines by thin-layer chromatography and immunoassay has been identified. The compound, 3-amino-1-phenylbutane (APB), an oxidative metabolite of labetalol, was initially identified in a patient's urine by
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