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1-(2-Methoxyphenyl)-N-methylpropan-1-amine hydrochloride

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Name

1-(2-Methoxyphenyl)-N-methylpropan-1-amine hydrochloride

EINECS 226-993-2
CAS No. 5588-10-3 Density 0.951 g/cm3
PSA 21.26000 LogP 3.03850
Solubility N/A Melting Point 210°C
Formula C11H17NO.HCl Boiling Point 252.3 °C at 760 mmHg
Molecular Weight 215.723 Flash Point 102.6 °C
Transport Information N/A Appearance N/A
Safety 36 Risk Codes 22
Molecular Structure Molecular Structure of 5588-10-3 (Methoxyphenamine hydrochloride) Hazard Symbols HarmfulXn
Synonyms

Benzeneethanamine,2-methoxy-N,a-dimethyl-,hydrochloride (9CI);Phenethylamine, o-methoxy-N,a-dimethyl-, hydrochloride (7CI,8CI);2-Methoxymethamphetamine hydrochloride;Methoxyphenaminium chloride;NSC 65644;Orthoxine hydrochloride;Proasma;dl-Orthoxine hydrochloride;dl-o-Methoxy-N,a-dimethylphenethylaminehydrochloride;o-Methoxy-N,a-dimethylphenethylamine hydrochloride;

Article Data 1

1-(2-Methoxyphenyl)-N-methylpropan-1-amine hydrochloride Specification

The CAS register number of 1-(2-Methoxyphenyl)-N-methylpropan-1-amine hydrochloride is 5588-10-3. It also can be called as Methoxyphenamine hydrochloride and the systematic name about this chemical is 1-(2-methoxyphenyl)-N-methylpropan-2-amine hydrochloride. The molecular formula about this chemical is C11H17NO.HCl and the molecular weight is 215.72. Classification code about this chemical is Drug / Therapeutic Agent. This chemical is harmful if swallowed. When you are using it, wear suitable protective clothing. This chemical is stable under normal temperature and pressure. If you want to store this chemical, please keep it in a sealed container and store it in a dark, cool and dry place.

Physical properties about 1-(2-Methoxyphenyl)-N-methylpropan-1-amine hydrochloride are: (1)ACD/LogP: 1.86; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -1; (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: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 12.47Å2; (12)Flash Point: 102.6 °C; (13)Enthalpy of Vaporization: 48.97 kJ/mol; (14)Boiling Point: 252.3 °C at 760 mmHg; (15)Vapour Pressure: 0.0194 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(c1ccccc1CC(NC)C)C
(2)InChI: InChI=1/C11H17NO.ClH/c1-9(12-2)8-10-6-4-5-7-11(10)13-3;/h4-7,9,12H,8H2,1-3H3;1H
(3)InChIKey: FGSJNNQVSUVTPW-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H17NO.ClH/c1-9(12-2)8-10-6-4-5-7-11(10)13-3;/h4-7,9,12H,8H2,1-3H3;1H
(5)Std. InChIKey: FGSJNNQVSUVTPW-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 subcutaneous 241mg/kg (241mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 54, Pg. 688, 1958.
mouse LD50 intraperitoneal 90mg/kg (90mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 348, 1972.
mouse LD50 oral 605mg/kg (605mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 55, Pg. 653, 1959.
mouse LD50 subcutaneous 380mg/kg (380mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA
Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 55, Pg. 653, 1959.
rabbit LD50 intravenous 30mg/kg (30mg/kg)   Drugs in Japan Vol. 6, Pg. 837, 1982.
rabbit LD50 oral 652mg/kg (652mg/kg)   Drugs in Japan Vol. 6, Pg. 837, 1982.
rabbit LD50 subcutaneous 269mg/kg (269mg/kg)   Drugs in Japan Vol. 6, Pg. 837, 1982.
rat LD50 intravenous 50mg/kg (50mg/kg)   Drugs in Japan Vol. 6, Pg. 837, 1982.
rat LD50 oral 630mg/kg (630mg/kg)   Drugs in Japan Vol. 6, Pg. 837, 1982.
rat LD50 subcutaneous 573mg/kg (573mg/kg)   Drugs in Japan Vol. 6, Pg. 837, 1982.

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