CAS 589-08-2|N-Methylphenethylamine

Introduction：Basic information about CAS 589-08-2|N-Methylphenethylamine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles14
7. Synonyms

Common Name	N-Methylphenethylamine
CAS Number	589-08-2	Molecular Weight	135.206
Density	0.9±0.1 g/cm3	Boiling Point	201.7±9.0 °C at 760 mmHg
Molecular Formula	C₉H₁₃N	Melting Point	0.93ºC
MSDS	ChineseUSA	Flash Point	73.9±0.0 °C
Symbol	GHS05, GHS07	Signal Word	Danger

Names

Name	N-Methylphenethylamine
Synonym	More Synonyms

Chemical & Physical Properties

Density	0.9±0.1 g/cm3
Boiling Point	201.7±9.0 °C at 760 mmHg
Melting Point	0.93ºC
Molecular Formula	C₉H₁₃N
Molecular Weight	135.206
Flash Point	73.9±0.0 °C
Exact Mass	135.104797
PSA	12.03000
LogP	1.60
Vapour Pressure	0.3±0.4 mmHg at 25°C
Index of Refraction	1.509
InChIKey	SASNBVQSOZSTPD-UHFFFAOYSA-N
SMILES	CNCCc1ccccc1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SH9625000

CHEMICAL NAME :: Phenethylamine, N-methyl-

CAS REGISTRY NUMBER :: 589-08-2

BEILSTEIN REFERENCE NO. :: 0636347

LAST UPDATED :: 199612

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C9-H13-N

MOLECULAR WEIGHT :: 135.23

WISWESSER LINE NOTATION :: 1M2R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 195,647,1940

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 180 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 195,647,1940

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 190 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 106,341,1952

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 195,647,1940 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

DOSE :: 126 mg/kg

SEX/DURATION :: female 5 day(s) pre-mating female 1-37 day(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - other effects Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)

REFERENCE :: JANSAG Journal of Animal Science. (American Soc. of Animal Science, 309 W. Clark St., Champaign, IL 61820) V.1- 1942- Volume(issue)/page/year: 69(Suppl 1),387,1991 *** REVIEWS *** TOXICOLOGY REVIEW CHREAY Chemical Reviews. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1924- Volume(issue)/page/year: 9,389,1931

Safety Information

Symbol	GHS05, GHS07
Signal Word	Danger
Hazard Statements	H302-H318
Precautionary Statements	P280-P305 + P351 + P338
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	C: Corrosive;
Risk Phrases	R34
Safety Phrases	S26-S36/37/39-S45-S61-S39
RIDADR	UN 2735 8/PG 3
WGK Germany	3
RTECS	SH9625000
HS Code	2921499090

Customs

HS Code	2921499090
Summary	2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles14

Structure–activity correlations for β-phenethylamines at human trace amine receptor 1

Bioorg. Med. Chem. 16 , 7415-23, (2008)

CoMFA 3D-QSAR studies on the potency of 68 β-phenethylamine analogs to activate hTAAR 1 (61% steric, 39% electrostatic) indicates that bulk both at nitrogen and 4-aryl leads to lower potency.

Derivatization of the tricarboxylic acid cycle intermediates and analysis by online solid-phase extraction-liquid chromatography-mass spectrometry with positive-ion electrospray ionization.

J. Chromatogr. A. 1232 , 19-26, (2012)

The analysis of cellular metabolic processes is of fundamental biological interest. Cellular metabolites, such as the intermediates of the tricarboxylic acid (TCA) cycle, provide essential information...

A rapid, sensitive electron-capture gas chromatographic procedure for analysis of metabolites of N-methyl,N-propargylphenylethylamine, a potential neuroprotective agent.

J. Pharmacol. Toxicol. Methods 52(3) , 373-8, (2005)

N-Methyl,N-propargyphenylethylamine (MPPE) is a novel analog of (-)-deprenyl, a drug prescribed for Parkinson's disease and shown to have neuroprotective and neurorescue properties in a wide variety o...

Synonyms

N-Methyl-2-phenylethanamine

MFCD00008291

N-Methylphenethylamine

N-Methyl-β-phenylethylamine

EINECS 209-632-3

Benzeneethanamine, N-methyl-

α-Phenyl-β-methylaminoethane

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