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Benzeneethanamine, α-methyl-, (αR)-

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Name

Benzeneethanamine, α-methyl-, (αR)-

EINECS 205-850-8
CAS No. 156-34-3 Density 0.946 g/cm3
PSA 26.02000 LogP 2.27660
Solubility N/A Melting Point N/A
Formula C9H13N Boiling Point 201.5 °C at 760 mmHg
Molecular Weight 135.209 Flash Point 87.4 °C
Transport Information N/A Appearance N/A
Safety 16-36/37-45 Risk Codes 11-23/24/25-39/23/24/25-24/25
Molecular Structure Molecular Structure of 156-34-3 (L-AMPHETAMINE) Hazard Symbols F,T
Synonyms

Benzeneethanamine,a-methyl-, (R)-;Phenethylamine, a-methyl-, (-)- (8CI);(-)-(R)-Amphetamine;(-)-Amphetamine;(-)-Phenaminum;(-)-Phenylisopropylamine;(2R)-(-)-Amphetamine;(R)-(-)-Amphetamine;(R)-1-Methyl-2-phenylethylamine;(R)-1-Phenyl-2-aminopropane;(R)-1-Phenyl-2-propylamine;(R)-Amphetamine;(R)-a-Methylphenethylamine;L-(-)-Amphetamine;L-Amphetamine;Levamfetamine;Levoamphetamine;

Article Data 153

Benzeneethanamine, α-methyl-, (αR)- Specification

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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