The Benzeneethanamine, α-methyl-, (αR)-, with the CAS registry number 156-34-3, is also known as (R)-alpha-Methylbenzeneethanamine. It belongs to the product categories of Amines; Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS registry number is 205-850-8. This chemical's molecular formula is C9H13N and molecular weight is 135.21. Its IUPAC name is called (2R)-1-phenylpropan-2-amine. This chemical can be used as CNS stimulant.
Physical properties of Benzeneethanamine, α-methyl-, (αR)-: (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)Index of Refraction: 1.527; (12)Molar Refractivity: 43.92 cm3; (13)Molar Volume: 142.8 cm3; (14)Surface Tension: 36.1 dyne/cm; (15)Density: 0.946 g/cm3; (16)Flash Point: 87.4 °C; (17)Enthalpy of Vaporization: 43.77 kJ/mol; (18)Boiling Point: 201.5 °C at 760 mmHg; (19)Vapour Pressure: 0.307 mmHg at 25°C.
Uses of Benzeneethanamine, α-methyl-, (αR)-: it can be used to produce dimethyl-((R)-1-methyl-2-phenyl-ethyl)-amine by heating. This reaction will need reagent formic acid with reaction time of 15 hours. The yield is about 51%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CC1=CC=CC=C1)N
(2)Isomeric SMILES: C[C@H](CC1=CC=CC=C1)N
(3)InChI: InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
(4)InChIKey: KWTSXDURSIMDCE-MRVPVSSYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | > 100mg/kg (100mg/kg) | Journal of Medicinal Chemistry. Vol. 16, Pg. 1394, 1973. |
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