2-Phenyl-1-propanamine hydrochloride (1:1) supplier

Name
Phenethylamine, beta-methyl-, hydrochloride, (+-)-
EINECS
CAS No. 52991-03-4
Article Data10
CAS DataBase
Density
Solubility
Melting Point
Formula C₉H₁₄ClN
Boiling Point 210 °C at 760 mmHg
Molecular Weight 171.67
Flash Point 84.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms dl-beta-Phenyl-n-propylamine hydrochloride;(+-)-beta-Methylphenethylamine hydrochloride;
PSA
LogP

2-Phenyl-1-propanamine hydrochloride (1:1) Specification

The Phenethylamine, beta-methyl-, hydrochloride, (+-)-, with the CAS registry number 52991-03-4, is also known as Methylphenylethylamine hcl, r-beta-(P). It belongs to the classification code of Drug / Therapeutic Agent. This chemical's molecular formula is C₉H₁₄ClN and molecular weight is 171.67. What's more, its systematic name is called 2-Phenyl-1-propanamine hydrochloride (1:1).

Physical properties about Phenethylamine, beta-methyl-, hydrochloride, (+-)- are: (1)ACD/LogP: 1.806; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.27; (4)ACD/LogD (pH 7.4): -0.62; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å²; (13)Flash Point: 84.6 °C; (14)Enthalpy of Vaporization: 44.63 kJ/mol; (15)Boiling Point: 210 °C at 760 mmHg; (16)Vapour Pressure: 0.197 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.NCC(c1ccccc1)C
(2) InChI: InChI=1S/C9H13N.ClH/c1-8(7-10)9-5-3-2-4-6-9;/h2-6,8H,7,10H2,1H3;1H
(3) InChIKey: HBVYOCJBEXSCQE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	intravenous	55mg/kg (55mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 79, Pg. 187, 1943.

Product Name

Phenethylamine, beta-methyl-, hydrochloride, (+-)-

2-Phenyl-1-propanamine hydrochloride (1:1) Specification

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