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CAS No.: | 17279-41-3 |
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Name: | (S)-1-(3,4-DIMETHOXYPHENYL) 2-PROPANAMINE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C11H17NO2 |
Molecular Weight: | 195.261 |
Synonyms: | Benzeneethanamine,3,4-dimethoxy-a-methyl-,(S)-;Phenethylamine, 3,4-dimethoxy-a-methyl-, (S)-(+)- (8CI);(+)-1-(3,4-Dimethoxyphenyl)-2-aminopropane;(S)-1-(3,4-Dimethoxyphenyl)-2-aminopropane;(S)-3,4-Dimethoxyamphetamine; |
Density: | 1.023 g/cm3 |
Boiling Point: | 288.967 °C at 760 mmHg |
Flash Point: | 139.809 °C |
PSA: | 44.48000 |
LogP: | 2.29380 |
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The CAS register number of Benzeneethanamine,3,4-dimethoxy-a-methyl-,(aS)- is 17279-41-3. It also can be called as (S)-1-(3,4-Dimethoxyphenyl)-2-aminopropane and the IUPAC name about this chemical is methyl 3-piperidin-4-ylbenzoate. The molecular formula about this chemical is C11H17NO2 and the molecular weight is 195.26.
Physical properties about Benzeneethanamine,3,4-dimethoxy-a-methyl-,(aS)- are: (1)ACD/LogP: 1.25; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -1; (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: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 44.48 Å2; (12)Index of Refraction: 1.512; (13)Molar Refractivity: 57.286 cm3; (14)Molar Volume: 190.816 cm3; (15)Polarizability: 22.71x10-24cm3; (16)Surface Tension: 34.786 dyne/cm; (17)Density: 1.023 g/cm3; (18)Flash Point: 139.809 °C; (19)Enthalpy of Vaporization: 52.824 kJ/mol; (20)Boiling Point: 288.967 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(ccc1OC)C[C@H](C)N
(2)InChI: InChI=1/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3/t8-/m0/s1
(3)InChIKey: KAZPHAGSWZTKDW-QMMMGPOBBM
(4)Std. InChI: InChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3/t8-/m0/s1
(5)Std. InChIKey: KAZPHAGSWZTKDW-QMMMGPOBSA-N