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Key Documents

M70533

Sigma-Aldrich

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:
Molecular Weight:
149.23
Beilstein:
2413110
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

98%

form

liquid

refractive index

n20/D 1.514 (lit.)

bp

228-232 °C (lit.)

density

0.922 g/mL at 25 °C (lit.)

SMILES string

CC(N)CCc1ccccc1

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

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Pictograms

Skull and crossbonesCorrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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
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
J Gal et al.
Research communications in chemical pathology and pharmacology, 62(1), 3-17 (1988-10-01)
Previous studies on the metabolic fate of antihypertensive agent labetalol in humans identified only conjugated metabolites of the drug and accounted for only a portion of the dose. In this study, urine samples obtained from three patients on chronic labetalol
Maiko Kusano et al.
Forensic science international, 300, 125-135 (2019-05-20)
Trends in forensic toxicology show the advancement of rapid and sensitive analytical methods for qualitative and quantitative analysis of drugs of abuse. However, forensic toxicologists are continuously faced with the challenges of identifying and quantifying drug blood concentration while simultaneously
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

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