Methyl(2-phenylethyl)amine hydrochloride supplier

Name
N-METHYLPHENETHYLAMINE HYDROCHLORIDE
EINECS
CAS No. 4104-43-2
Article Data1
CAS DataBase
Density
Solubility
Melting Point
Formula C₉H₁₃N
Boiling Point 201.7 °C at 760mmHg
Molecular Weight 171.67
Flash Point 73.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms PHENYLETHYLAMINE, BETA,N-METHYL;N-Methylphenethylamine, hydrochloride;Methylphenethylamine hydrochloride;N-Methylphenethylamine hydrochloride;Benzeneethanamine, N-methyl-, hydrochloride;N-Methyl-.beta.-phenylethylamine hydrochloride;N-Methyl-.beta.-phenylethylamine-HCI;N-methyl-2-phenyl-ethanamine;Methyl(2-phenylethyl)amine hydrochloride;
PSA 12.03000
LogP 2.64140

Methyl(2-phenylethyl)amine hydrochloride Specification

1. Introduction of Methyl(2-phenylethyl)amine hydrochloride

This Phenethylamine, with its CAS NO 4104-43-2, is a kind of white crystalline. It has synonyms of PHENYLETHYLAMINE, BETA,N-METHYL;N-Methylphenethylamine, hydrochloride;Methylphenethylamine hydrochloride;N-Methylphenethylamine hydrochloride;Benzeneethanamine, N-methyl-, hydrochloride and N-Methyl-.beta.-phenylethylamine hydrochloride. This chemical should be stored in shady and cool warehouse and mainly used as diagnosis medication.

2. Properties of Methyl(2-phenylethyl)amine hydrochloride

(1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.5; (4)ACD/LogD (pH 7.4): -1.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å²; (13)Flash Point: 73.9 °C; (14)Enthalpy of Vaporization: 43.8 kJ/mol; (15)Boiling Point: 201.7 °C at 760 mmHg; (16)Vapour Pressure: 0.303 mmHg at 25°C.

3. Structure descriptors of Methyl(2-phenylethyl)amine hydrochloride

1.SMILES: Cl.N(CCc1ccccc1)C
2.InChI: InChI=1/C9H13N.ClH/c1-10-8-7-9-5-3-2-4-6-9;/h2-6,10H,7-8H2,1H3;1H
3.InChIKey: WIBADEXUNPVVIP-UHFFFAOYAB
4.Std. InChI: InChI=1S/C9H13N.ClH/c1-10-8-7-9-5-3-2-4-6-9;/h2-6,10H,7-8H2,1H3;1H
5.Std. InChIKey: WIBADEXUNPVVIP-UHFFFAOYSA-N

4. The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	50mg/kg (50mg/kg)		National Technical Information Service. Vol. AD277-689,
mouse	LD50	oral	685mg/kg (685mg/kg)		Journal of the American Chemical Society. Vol. 63, Pg. 602, 1941.
rat	LDLo	intraperitoneal	283mg/kg (283mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 719, 1956.

Product Name

N-METHYLPHENETHYLAMINE HYDROCHLORIDE

Methyl(2-phenylethyl)amine hydrochloride Specification

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