CAS No.645-58-9,2-(4-Methoxyphenyl)ethylaMine Hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	645-58-9
Name:	2-(4-Methoxyphenyl)ethylaMine Hydrochloride
Article Data:	9

Formula:	C₉H₁₄ClNO
Molecular Weight:	187.669
Synonyms:	Benzeneethanamine,4-methoxy-, hydrochloride (9CI);Phenethylamine, p-methoxy-, hydrochloride(6CI,8CI);4-Methoxy-b-phenethylamine hydrochloride;4-Methoxyphenethylamine hydrochloride;4-Methoxyphenylethylamine hydrochloride;4-O-Methyltyramine hydrochloride;Tyramine methyl ether hydrochloride;p-Methoxyphenethylamine hydrochloride;p-Methoxyphenylethylamine hydrochloride;
Density:	1.008g/cm³
Melting Point:	210 °C
Boiling Point:	255.2 °C at 760 mmHg
Flash Point:	105.3 °C
PSA:	35.25000
LogP:	2.69870

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Specification

The CAS register number of Benzeneethanamine,4-methoxy-, hydrochloride (1:1) is 645-58-9. It also can be called as 4-Methoxy-b-phenethylamine hydrochloride and the IUPAC name about this chemical is 2-(4-methoxyphenyl)ethanamine hydrochloride. The molecular formula about this chemical is C₉H₁₄ClNO and the molecular weight is 187.66926.

Physical properties about are: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): -1.71; (3)ACD/LogD (pH 7.4): -1.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 12.47 Å²; (12)Flash Point: 105.3 °C; (13)Enthalpy of Vaporization: 49.27 kJ/mol; (14)Boiling Point: 255.2 °C at 760 mmHg; (15)Vapour Pressure: 0.0165 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(c1ccc(cc1)CCN)C
(2)InChI: InChI=1/C9H13NO.ClH/c1-11-9-4-2-8(3-5-9)6-7-10;/h2-5H,6-7,10H2,1H3;1H
(3)InChIKey: KSMJZTHNZYCQPE-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H13NO.ClH/c1-11-9-4-2-8(3-5-9)6-7-10;/h2-5H,6-7,10H2,1H3;1H
(5)Std. InChIKey: KSMJZTHNZYCQPE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	142mg/kg (142mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Russian Pharmacology and Toxicology Vol. 39, Pg. 209, 1976.