CAS No.20388-87-8,beta-methyl-phenethylaminhydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20388-87-8
Name:	beta-methyl-phenethylaminhydrochloride
Article Data:	8

Formula:	C₉H₁₄ClN
Molecular Weight:	171.67
Synonyms:	Benzeneethanamine,b-methyl-, hydrochloride (9CI);Phenethylamine, b-methyl-,hydrochloride (8CI);2-Phenyl-1-propanamine monohydrochloride;2-Phenylpropylamine hydrochloride;b-Methylbenzeneethanaminehydrochloride;
EINECS:	202-303-5
Melting Point:	143-144℃
Boiling Point:	210 °C at 760 mmHg
Flash Point:	84.6 °C
PSA:	26.02000
LogP:	3.25110

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Specification

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

Physical properties about Benzeneethanamine, b-methyl-, hydrochloride (1:1) 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
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.