300-62-9

The Benzedrine is an organic compound with the formula C₉H₁₃N. The IUPAC name of this chemical is 1-phenylpropan-2-amine. With the CAS registry number 300-62-9, it is also named as (2S)-1-Phenylpropan-2-amin. The product's classification codes are Adrenergic agents; Adrenergic uptake inhibitors; Autonomic Agents; Central Nervous System Agents; Central nervous system stimulants; Dopamine agents; Dopamine uptake inhibitors; Drug / Therapeutic Agent; Human Data; Mutation data; Neurotransmitter Agents; Neurotransmitter Uptake Inhibitors; Peripheral Nervous System Agents; Reproductive Effect; Sympathomimetics. Besides, it was used to enlarge nasal and bronchial passages and it is closely related to other stimulants produced later, such as dextroamphetamine and methamphetamine.

Physical properties about Benzedrine are: (1)ACD/LogP: 1.81; (2)ACD/LogD (pH 5.5): -1.28; (3)ACD/LogD (pH 7.4): -0.63; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 3.24 Å²; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 43.92 cm³; (14)Molar Volume: 142.8 cm³; (15)Polarizability: 17.41×10^-24cm³; (16)Surface Tension: 36.1 dyne/cm; (17)Density: 0.946 g/cm³; (18)Flash Point: 87.4 °C; (19)Enthalpy of Vaporization: 43.77 kJ/mol; (20)Boiling Point: 201.5 °C at 760 mmHg; (21)Vapour Pressure: 0.307 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N[C@H](Cc1ccccc1)C
(2)InChI: InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
(3)InChIKey: KWTSXDURSIMDCE-QMMMGPOBBF
(4)Std. InChI: InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
(5)Std. InChIKey: KWTSXDURSIMDCE-QMMMGPOBSA-N

The toxicity data is as follows: