Product Name

  • Name

    2-(4-Methoxyphenyl)ethylaMine Hydrochloride

  • EINECS
  • CAS No. 645-58-9
  • Article Data9
  • CAS DataBase
  • Density 1.008g/cm3
  • Solubility
  • Melting Point 210 °C
  • Formula C9H14ClNO
  • Boiling Point 255.2 °C at 760 mmHg
  • Molecular Weight 187.669
  • Flash Point 105.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 645-58-9 (2-(4-Methoxyphenyl)ethylaMine Hydrochloride)
  • Hazard Symbols
  • 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;
  • PSA 35.25000
  • LogP 2.69870

Benzeneethanamine,4-methoxy-, hydrochloride (1:1) 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.

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