2-Phenyl-1-propanam...

2-Phenyl-1-propanamine hydrochloride 98% supplier in China

2-Phenyl-1-propanamine hydrochloride 98% supplier in China

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2-Phenyl-1-propanamine hydrochloride supplier 2-Phenyl-1-propanamine hydrochloride China 2-Phenyl-1-propanamine hydrochloride 98%

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  • Application:pharmaceutical intermediate;fine chemical
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1. Introduction of 2-Phenyl-1-propanamine hydrochloride

 

2-Phenyl-1-propanamine hydrochloride, with the CAS registry number 20388-87-8, is also known as Benzeneethanamine, b-methyl-, hydrochloride (1:1). 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 IUPAC name is called 2-Phenylpropan-1-amine hydrochloride.


2. Basic Information of 2-Phenyl-1-propanamine hydrochloride

 

1) Properties of 2-Phenyl-1-propanamine hydrochloride

Physical properties about 2-Phenyl-1-propanamine 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 ?2; (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.


2) Descriptors of Structure

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


3) Toxicity of 2-Phenyl-1-propanamine hydrochloride

 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 19mg/kg (19mg/kg)   Annales Pharmaceutiques Francaises. Vol. 9, Pg. 390, 1951.
rabbit LDLo intravenous 50mg/kg (50mg/kg)   Journal of the American Chemical Society. Vol. 53, Pg. 1875, 1931.
rat LD50 intravenous 50mg/kg (50mg/kg)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

CARDIAC: CHANGE IN RATE

 Journal of Pharmacology and Experimental Therapeutics. Vol. 81, Pg. 360, 1944.
rat LDLo subcutaneous 500mg/kg (500mg/kg)   Journal of the American Chemical Society. Vol. 53, Pg. 1875, 1931.

 

 

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