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Amfetaminil

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Name

Amfetaminil

EINECS 241-560-8
CAS No. 17590-01-1 Density 1.062 g/cm3
PSA 35.82000 LogP 3.86298
Solubility N/A Melting Point 81-85 °C
Formula C17H18N2 Boiling Point 405.167 °C at 760 mmHg
Molecular Weight 250.343 Flash Point 198.838 °C
Transport Information N/A Appearance White to Off-White Solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 17590-01-1 (AMFETAMINIL) Hazard Symbols N/A
Synonyms

Acetonitrile,[(a-methylphenethyl)amino]phenyl-(8CI);Glycinonitrile, N-(a-methylphenethyl)-2-phenyl- (7CI);AN 1 (pharmaceutical);Amfetaminil;Amphetaminil;Aponeuron;N-(b-Phenylisopropyl)-a-aminophenylacetonitrile;NSC 67172;a-Phenyl-a-N-(1-phenylisopropyl)aminoacetonitrile;a-Phenyl-a-[N-(b-phenylisopropyl)amino]acetonitrile;

Article Data 5

Amfetaminil Specification

The Amfetaminil, with the CAS registry number 17590-01-1, is also known as ((alpha-Methylphenethyl)amino)phenylacetonitrile. It belongs to the product categories of Amines; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 241-560-8. This chemical's molecular formula is C17H18N2 and molecular weight is 250.34. What's more, its systematic name is Phenyl[(1-phenyl-2-propanyl)amino]acetonitrile. 

Physical properties of Amfetaminil are: (1)ACD/LogP: 3.782; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 3.78; (5)ACD/BCF (pH 5.5): 437.55; (6)ACD/BCF (pH 7.4): 441.01; (7)ACD/KOC (pH 5.5): 2698.18; (8)ACD/KOC (pH 7.4): 2719.49; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.82 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 77.658 cm3; (15)Molar Volume: 235.797 cm3; (16)Polarizability: 30.786×10-24cm3; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.062 g/cm3; (19)Flash Point: 198.838 °C; (20)Enthalpy of Vaporization: 65.672 kJ/mol; (21)Boiling Point: 405.167 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC(NC(C)Cc1ccccc1)c2ccccc2
(2)Std. InChI: InChI=1S/C17H18N2/c1-14(12-15-8-4-2-5-9-15)19-17(13-18)16-10-6-3-7-11-16/h2-11,14,17,19H,12H2,1H3
(3)Std. InChIKey: NFHVTCJKAHYEQN-UHFFFAOYSA-N

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 491mg/kg (491mg/kg) CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 24, Pg. 823, 1977.
mouse LD50 oral 182mg/kg (182mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION
Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 24, Pg. 823, 1977.
mouse LD50 subcutaneous 58mg/kg (58mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 335, 1972.
rat LD50 intraperitoneal 58800ug/kg (58.8mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION
Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 24, Pg. 823, 1977.
rat LD50 oral 37600ug/kg (37.6mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION
Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 24, Pg. 823, 1977.
rat LD50 subcutaneous 95100ug/kg (95.1mg/kg) VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 24, Pg. 823, 1977.

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