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14383-60-9

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Basic Information
CAS No.: 14383-60-9
Name: N-acetylamphetamine
Article Data: 30
Molecular Structure:
Molecular Structure of 14383-60-9 (N-acetylamphetamine)
Formula: C11H15NO
Molecular Weight: 177.246
Synonyms: Acetamide,N-(a-methylphenethyl)- (6CI,7CI,8CI);Acetylamphetamine;N-(a-Methylphenethyl)acetamide;N-Acetyl-b-phenylisopropylamine;N-Acetylamphetamine;
Density: 0.995 g/cm3
Melting Point: 67 °C
Boiling Point: 349.6 °C at 760 mmHg
Flash Point: 207.3 °C
PSA: 32.59000
LogP: 2.59400
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Specification

The IUPAC name of N-Acetylamphetamine is N-(1-phenylpropan-2-yl)acetamide. With the CAS registry number 14383-60-9, it is also named as Acetamide, N-(alpha-methylphenethyl)-. The product's classification code is Drug / Therapeutic Agent. Besides, it is metabolite of Pheniprazine. In addition, its molecular formula is C11H15NO and molecular weight is 177.2429.

The other characteristics of N-Acetylamphetamine can be summarized as: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.72; (6)ACD/BCF (pH 7.4): 7.72; (7)ACD/KOC (pH 5.5): 150.26; (8)ACD/KOC (pH 7.4): 150.26; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 53.28 cm3; (15)Molar Volume: 178 cm3; (16)Polarizability: 21.12×10-24cm3; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 0.995 g/cm3; (19)Flash Point: 207.3 °C; (20)Enthalpy of Vaporization: 59.41 kJ/mol; (21)Boiling Point: 349.6 °C at 760 mmHg; (22)Vapour Pressure: 4.65E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(NC(Cc1ccccc1)C)C
(2)InChI: InChI=1/C11H15NO/c1-9(12-10(2)13)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)
(3)InChIKey: YPKBVWZHVTZSPU-UHFFFAOYAA

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 213mg/kg (213mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Acta Pharmacologica et Toxicologica. Vol. 38, Pg. 474, 1976.