CAS No.17590-01-1,AMFETAMINIL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17590-01-1
Name:	AMFETAMINIL
Article Data:	5

Formula:	C₁₇H₁₈N₂
Molecular Weight:	250.343
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;
EINECS:	241-560-8
Density:	1.062 g/cm³
Melting Point:	81-85 °C
Boiling Point:	405.167 °C at 760 mmHg
Flash Point:	198.838 °C
Appearance:	White to Off-White Solid
PSA:	35.82000
LogP:	3.86298

Raw Materials

60-15-1

2706-50-5

151-50-8

100-52-7

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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.