(R)-1-(4-methoxyphenyl)-N-((R)-1-phenylethyl)propan-2-amine
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In methanol at 40℃; for 24h; | 99.8% |
With palladium 10% on activated carbon; hydrogen In methanol at 45℃; under 15201 Torr; for 8h; Autoclave; | 94% |
With palladium 10% on activated carbon at 50℃; under 37503.8 Torr; for 1h; |
4-methoxybenzyl methyl ketone
2-Pentanone
A
(R)‐2‐aminopentane
B
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With Candida boidinii formate dehydrogenase; pyridoxal 5'-phosphate; Aspergillus terreus ω-trans aminase; Lysinibacillus fusiformis leucine dehydrogenase; ammonium formate; nicotinamide adenine dinucleotide In aq. buffer at 30℃; for 24h; pH=8.8; Catalytic behavior; Green chemistry; Enzymatic reaction; | A 99.7% B 99.4% |
4-methoxybenzyl methyl ketone
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With glucose dehydrogenase; D-Alanine; D-glucose; ω-transaminase ATA-117; pyridoxal 5'-phosphate; nicotinamide adenine dinucleotide; lactate dehydrogenase In dimethyl sulfoxide at 30℃; for 24h; pH=7; aq. phosphate buffer; Enzymatic reaction; optical yield given as %ee; stereoselective reaction; | 99% |
With pyridoxal 5'-phosphate; amine transaminase TA-P2-B01; isopropylamine In aq. phosphate buffer at 30℃; for 24h; pH=7.5; Reagent/catalyst; Enzymatic reaction; enantioselective reaction; | 86% |
With Cb-FDH formate dehydrogenase (variant) from Candida boidinii; Rs-PhAmDH amine dehydrogenase variant from the phenylalanine dehydrogenase from Rhodoccoccus species; NAD; ammonium formate In water at 30℃; for 24h; pH=8.5; Reagent/catalyst; Enzymatic reaction; stereoselective reaction; | 82% |
(4R,5S)-5-(4-methoxyphenyl)-4-methyloxazolidin-2-one
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In methanol at 20℃; for 1h; atmospheric pressure; | 91% |
(R)-N-[2-(4'-methoxyphenyl)-1-methylethyl]-2-methoxyacetamide
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With water; potassium hydroxide Reflux; optical yield given as %ee; | 70% |
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With hydrogenchloride; D-sorbitol; choline chloride In water at 25℃; for 3h; | 60% |
ethyl 2-methoxyacetate
2-amino-1-(4-methyoxyphenyl)propane
A
(R)-N-[2-(4'-methoxyphenyl)-1-methylethyl]-2-methoxyacetamide
B
(S)-2-(4-methoxy-phenyl)-1-methyl-ethylamine
C
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With Candida antartica lipase B; triethylamine In n-heptane at 50℃; for 25h; Inert atmosphere; Enzymatic reaction; optical yield given as %ee; | A 49% B 40% C n/a |
With Candida antartica lipase B; triethylamine In n-heptane at 35℃; for 1.5h; Inert atmosphere; Enzymatic reaction; optical yield given as %ee; | A 38% B n/a C n/a |
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In methanol; water |
1-methoxy-4-((E)-2-nitroprop-1-enyl)benzene
A
(S)-2-(4-methoxy-phenyl)-1-methyl-ethylamine
B
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
Stage #1: 1-methoxy-4-((E)-2-nitroprop-1-enyl)benzene With lithium aluminium tetrahydride In diethyl ether for 2h; Reduction; Heating; Stage #2: With Candida antarctica lipase B; ethyl acetate; triethylamine at 30℃; for 4h; racemate resolution; Title compound not separated from byproducts; |
(R)-N-[1-(o-methoxyphenyl)propan-2-yl]ethanamide
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With potassium hydroxide Hydrolysis; Heating; |
2-amino-1-(4-methyoxyphenyl)propane
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: Candida antarctica lipase B 2: 3M aq. KOH / Heating View Scheme | |
Multi-step reaction with 2 steps 1: Candida antartica lipase B; triethylamine / 35 °C / Inert atmosphere; Enzymatic reaction 2: water; potassium hydroxide / Reflux View Scheme | |
Multi-step reaction with 2 steps 1: Candida antartica lipase B; triethylamine / n-heptane / 25 h / 50 °C / Inert atmosphere; Enzymatic reaction 2: water; potassium hydroxide / Reflux View Scheme | |
Multi-step reaction with 2 steps 1: triethylamine / tetrahydrofuran / 0 - 20 °C / Inert atmosphere 2: water; potassium hydroxide / Reflux View Scheme |
1-methoxy-4-((E)-2-nitroprop-1-enyl)benzene
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 78 percent / LiAlH4 / diethyl ether / 2 h / Heating 2: Candida antarctica lipase B 3: 3M aq. KOH / Heating View Scheme |
4-methoxy-benzaldehyde
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: 81 percent / ammonium acetate / 0.58 h / Heating 2: 78 percent / LiAlH4 / diethyl ether / 2 h / Heating 3: Candida antarctica lipase B 4: 3M aq. KOH / Heating View Scheme | |
Multi-step reaction with 2 steps 1.1: 81 percent / ammonium acetate / 0.58 h / Heating 2.1: LiAlH4 / diethyl ether / 2 h / Heating 2.2: Candida antarctica lipase B; ethyl acetate; Et3N / 4 h / 30 °C View Scheme |
l-para-Methoxyamphetamine hydrochloride
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With ammonia; water In dichloromethane Product distribution / selectivity; |
4-methoxybenzyl methyl ketone
A
(S)-2-(4-methoxy-phenyl)-1-methyl-ethylamine
B
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With glucose dehydrogenase; D-Alanine; D-glucose; ω-transaminase ATA-117; pyridoxal 5'-phosphate; nicotinamide adenine dinucleotide; lactate dehydrogenase In dimethyl sulfoxide at 30℃; for 24h; pH=7; aq. phosphate buffer; Enzymatic reaction; optical yield given as %ee; stereoselective reaction; | |
With Escherichia coli overexpressing ω-transaminase from round 11 variant from Arthrobacter sp.; pyridoxal 5'-phosphate; isopropylamine In dimethyl sulfoxide at 45℃; pH=11; aq. buffer; Enzymatic reaction; optical yield given as %ee; | |
With pyridoxal 5'-phosphate; isopropylamine In aq. phosphate buffer at 30℃; for 5h; pH=9; Reagent/catalyst; Time; Enzymatic reaction; | A n/a B n/a |
butanone
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With glucose dehydrogenase; D-Alanine; D-glucose; ω-transaminase ATA-117; pyridoxal 5'-phosphate; nicotinamide adenine dinucleotide; lactate dehydrogenase In dimethyl sulfoxide at 30℃; for 24h; pH=7; aq. phosphate buffer; Enzymatic reaction; optical yield given as %ee; stereoselective reaction; |
N-[2-(4'-methoxyphenyl)-1-methylethyl]-2-methoxyacetamide
A
(S)-2-(4-methoxy-phenyl)-1-methyl-ethylamine
B
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With water; potassium hydroxide Reflux; optical yield given as %ee; |
4-(2-nitro-propenyl)-anisole
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: lithium aluminium tetrahydride / diethyl ether / 3 h / Inert atmosphere; Reflux 2: Candida antartica lipase B; triethylamine / 35 °C / Inert atmosphere; Enzymatic reaction 3: water; potassium hydroxide / Reflux View Scheme | |
Multi-step reaction with 2 steps 1: lithium aluminium tetrahydride / diethyl ether / 3 h / Inert atmosphere; Reflux 2: Candida antartica lipase B; triethylamine / 35 °C / Inert atmosphere; Enzymatic reaction View Scheme | |
Multi-step reaction with 2 steps 1: lithium aluminium tetrahydride / diethyl ether / 3 h / Inert atmosphere; Reflux 2: Candida antartica lipase B; triethylamine / n-heptane / 25 h / 50 °C / Inert atmosphere; Enzymatic reaction View Scheme | |
Multi-step reaction with 3 steps 1: lithium aluminium tetrahydride / diethyl ether / 3 h / Inert atmosphere; Reflux 2: Candida antartica lipase B; triethylamine / n-heptane / 25 h / 50 °C / Inert atmosphere; Enzymatic reaction 3: water; potassium hydroxide / Reflux View Scheme | |
Multi-step reaction with 3 steps 1: lithium aluminium tetrahydride / diethyl ether / 3 h / Inert atmosphere; Reflux 2: triethylamine / tetrahydrofuran / 0 - 20 °C / Inert atmosphere 3: water; potassium hydroxide / Reflux View Scheme |
2-amino-1-(4-methyoxyphenyl)propane
ethyl acetate
B
(R)-N-[2-(4'-methoxyphenyl)-1-methylethyl]-2-methoxyacetamide
C
(S)-2-(4-methoxy-phenyl)-1-methyl-ethylamine
D
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With Candida antartica lipase B; triethylamine at 35℃; Inert atmosphere; Enzymatic reaction; optical yield given as %ee; |
4-methoxy-benzaldehyde
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: ammonium acetate / Reflux 2: lithium aluminium tetrahydride / diethyl ether / 3 h / Inert atmosphere; Reflux 3: Candida antartica lipase B; triethylamine / 35 °C / Inert atmosphere; Enzymatic reaction 4: water; potassium hydroxide / Reflux View Scheme | |
Multi-step reaction with 3 steps 1: ammonium acetate / Reflux 2: lithium aluminium tetrahydride / diethyl ether / 3 h / Inert atmosphere; Reflux 3: Candida antartica lipase B; triethylamine / 35 °C / Inert atmosphere; Enzymatic reaction View Scheme | |
Multi-step reaction with 3 steps 1: ammonium acetate / Reflux 2: lithium aluminium tetrahydride / diethyl ether / 3 h / Inert atmosphere; Reflux 3: Candida antartica lipase B; triethylamine / n-heptane / 25 h / 50 °C / Inert atmosphere; Enzymatic reaction View Scheme | |
Multi-step reaction with 4 steps 1: ammonium acetate / Reflux 2: lithium aluminium tetrahydride / diethyl ether / 3 h / Inert atmosphere; Reflux 3: triethylamine / tetrahydrofuran / 0 - 20 °C / Inert atmosphere 4: water; potassium hydroxide / Reflux View Scheme | |
Multi-step reaction with 4 steps 1: ammonium acetate / Reflux 2: lithium aluminium tetrahydride / diethyl ether / 3 h / Inert atmosphere; Reflux 3: Candida antartica lipase B; triethylamine / n-heptane / 25 h / 50 °C / Inert atmosphere; Enzymatic reaction 4: water; potassium hydroxide / Reflux View Scheme |
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: L-Tartaric acid / ethanol 2: palladium 10% on activated carbon; hydrogen / methanol / 24 h / 40 °C / 1.5 MPa View Scheme |
1-(4-methoxyphenyl)propan-2-ol
A
4-methoxybenzyl methyl ketone
B
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With amine dehydrogenase ChiAmDH; secondary alcohol dehydrogenase from Thermoanaerobacter ethanolicus W110A/G198D mutant; nicotinamide adenine dinucleotide; ammonium chloride pH=9; Enzymatic reaction; enantioselective reaction; | A n/a B n/a |
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: trichlorosilane; (8S,9S)-9-picolinamide(9-desoxy)-epi-cinchonidine / dichloromethane / 36 h / -20 °C / Inert atmosphere 2: palladium 10% on activated carbon / 1 h / 50 °C / 37503.8 Torr View Scheme |
A
(S)-2-(4-methoxy-phenyl)-1-methyl-ethylamine
B
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With (8S,9S)-9-picolinamide(9-desoxy)-epi-cinchonidine; trichlorosilane In dichloromethane for 0.5h; Flow reactor; Overall yield = 70 %; enantioselective reaction; | A n/a B n/a |
inden-1-one
A
(S)-2-(4-methoxy-phenyl)-1-methyl-ethylamine
B
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: titanium(IV) isopropylate / toluene / 0.08 h / Inert atmosphere 1.2: 18 h / 110 °C 2.1: trichlorosilane; (8S,9S)-9-picolinamide(9-desoxy)-epi-cinchonidine / dichloromethane / 0.5 h / Flow reactor View Scheme |
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: hydrogen / palladium 10% on activated carbon / methanol / 8 - 10 h / 50 °C 1.2: pH 1 - 2 2.1: ammonia; water / dichloromethane View Scheme |
Estragole
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sodium 2,2,2-trifluoroacetate; iron(III) chloride; palladium(II) trifluoroacetate / acetonitrile; water / 30 °C / Inert atmosphere; Darkness 2: pyridoxal 5'-phosphate; isopropylamine; amine transaminase TA-P2-B01 / aq. phosphate buffer / 24 h / 30 °C / pH 7.5 / Enzymatic reaction View Scheme | |
Multi-step reaction with 2 steps 1: iron(III) chloride; palladium(II) trifluoroacetate / water / 24 h / 60 °C / Inert atmosphere 2: pyridoxal 5'-phosphate; isopropylamine; amine transaminase TA-P2-B01 / aq. phosphate buffer / 24 h / 30 °C / pH 7.5 / Enzymatic reaction View Scheme |
Estragole
A
(S)-2-(4-methoxy-phenyl)-1-methyl-ethylamine
B
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sodium 2,2,2-trifluoroacetate; iron(III) chloride; palladium(II) trifluoroacetate / acetonitrile; water / 30 °C / Inert atmosphere; Darkness 2: pyridoxal 5'-phosphate; isopropylamine; amine transaminase ATA-415 / aq. phosphate buffer / 24 h / 30 °C / pH 7.5 / Enzymatic reaction View Scheme | |
Multi-step reaction with 2 steps 1: iron(III) chloride; palladium(II) trifluoroacetate / water / 24 h / 60 °C / Inert atmosphere 2: pyridoxal 5'-phosphate; isopropylamine; amine transaminase ATA-415 / aq. phosphate buffer / 24 h / 30 °C / pH 7.5 / Enzymatic reaction View Scheme |
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: D-sorbitol; choline chloride / 0.03 h / 25 °C 2: D-sorbitol; choline chloride; hydrogenchloride / water / 3 h / 25 °C View Scheme | |
Multi-step reaction with 2 steps 1: D-sorbitol; choline chloride / 0.03 h / 25 °C 2: D-sorbitol; choline chloride; hydrogenchloride / water / 3 h / 25 °C View Scheme |
(R)-(-)-p-methoxyamphetamine
chloroacetyl chloride
Conditions | Yield |
---|---|
With triethylamine In chloroform at 0 - 5℃; for 22 - 26h; | 95% |
(R)-(-)-p-methoxyamphetamine
benzaldehyde
(R)-(-)-1-(4'-methoxyphenyl)-2-benzylaminopropane
Conditions | Yield |
---|---|
With platinum on carbon; hydrogen In toluene at 80℃; under 3800.26 Torr; for 14h; Autoclave; | 91% |
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With sodium hydrogencarbonate; benzenesulfonyl chloride In dichloromethane; water | 88.6% |
With sodium hydrogencarbonate; benzenesulfonyl chloride In dichloromethane; water | 88.6% |
(R)-(-)-p-methoxyamphetamine
propargyl bromide
(R)-N-(1-(4-methoxyphenyl)propan-2-yl)prop-2-yn-1-amine
Conditions | Yield |
---|---|
With potassium carbonate In toluene; acetonitrile at 20℃; for 16h; Inert atmosphere; | 60.6% |
(R)-(-)-p-methoxyamphetamine
(2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(2-ethyl-2H-tetrazol-5-yl)tetrahydrofuran-3,4-diol
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide at 145℃; for 23h; Inert atmosphere; | 30% |
R-(+)-α-trifluoromethyl-α-methoxy-phenylacetic acid
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
(i) SOCl2, (ii) /BRN= 3030840/, Py, CHCl3; Multistep reaction; | |
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride |
(R)-(-)-p-methoxyamphetamine
(R)-meta-chlorostyrene oxide
(R)-1-(3-Chloro-phenyl)-2-[(R)-2-(4-methoxy-phenyl)-1-methyl-ethylamino]-ethanol
Conditions | Yield |
---|---|
With hydrogenchloride; N-Trimethylsilylacetamide 1.) 110 deg C, 2.) EtOAc, 0 deg C to room temp.; Yield given. Multistep reaction; |
(R)-(-)-p-methoxyamphetamine
4-Chloro-pyridine-3-sulfonic acid [(S)-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-1-(4-nitro-benzyl)-2-oxo-ethyl]-amide
Conditions | Yield |
---|---|
In ethanol Heating; |
N,O-bis-(trimethylsilyl)-acetamide
(R)-(-)-p-methoxyamphetamine
(R)-1-(4-benzyloxy-3-nitrophenyl)oxirane
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 80℃; for 87h; Addition; |
(R)-(-)-p-methoxyamphetamine
2-(3-bromo-5-isoxazolyl)oxirane
Conditions | Yield |
---|---|
With calcium(II) trifluoromethanesulfonate In acetonitrile for 24h; Heating; |
(R)-(-)-p-methoxyamphetamine
(R,R)-formoterol
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1: dimethylsulfoxide / 87 h / 80 °C 2: neutral Al2O3 (activity III) 3: 67 percent / Fe turnings; 1M aq. HCl / methanol / 0.75 h / Heating 4: 69 percent / pyridine / 6.5 h / 60 °C 5: H2 / 10 percentPd/C / ethanol / 20 °C View Scheme |
(R)-(-)-p-methoxyamphetamine
(R)-1-(3-Amino-4-benzyloxy-phenyl)-2-[(R)-2-(4-methoxy-phenyl)-1-methyl-ethylamino]-ethanol
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: dimethylsulfoxide / 87 h / 80 °C 2: neutral Al2O3 (activity III) 3: 67 percent / Fe turnings; 1M aq. HCl / methanol / 0.75 h / Heating View Scheme |
(R)-(-)-p-methoxyamphetamine
(R)-1-(4-Benzyloxy-3-nitro-phenyl)-2-[(R)-2-(4-methoxy-phenyl)-1-methyl-ethylamino]-ethanol
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: dimethylsulfoxide / 87 h / 80 °C 2: neutral Al2O3 (activity III) View Scheme |
(R)-(-)-p-methoxyamphetamine
N-(2-Benzyloxy-5-{(R)-1-hydroxy-2-[(R)-2-(4-methoxy-phenyl)-1-methyl-ethylamino]-ethyl}-phenyl)-formamide
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: dimethylsulfoxide / 87 h / 80 °C 2: neutral Al2O3 (activity III) 3: 67 percent / Fe turnings; 1M aq. HCl / methanol / 0.75 h / Heating 4: 69 percent / pyridine / 6.5 h / 60 °C View Scheme |
(R)-(-)-p-methoxyamphetamine
(R)-5-(3-Chloro-phenyl)-3-[(R)-2-(4-hydroxy-phenyl)-1-methyl-ethyl]-oxazolidin-2-one
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 1.) AcNHTMS, 2.) aq. HCl / 1.) 110 deg C, 2.) EtOAc, 0 deg C to room temp. 2: 90 percent / Et3N / CHCl3 / Ambient temperature 3: 81 percent / BBr3 / CH2Cl2 / 0 °C View Scheme |
(R)-(-)-p-methoxyamphetamine
(R)-5-(3-Chloro-phenyl)-3-[(R)-2-(4-methoxy-phenyl)-1-methyl-ethyl]-oxazolidin-2-one
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 1.) AcNHTMS, 2.) aq. HCl / 1.) 110 deg C, 2.) EtOAc, 0 deg C to room temp. 2: 90 percent / Et3N / CHCl3 / Ambient temperature View Scheme |
The systematic name of (R)-2-(4-Methoxyphenyl)-1-methylethanamine is (2R)-1-(4-methoxyphenyl)propan-2-amine. With the CAS registry number 58993-79-6, it is also named as Benzeneethanamine,4-methoxy-a-methyl-, (R)-. The product's category is tamsulosin. Moreover, its molecular formula is C10H15NO and its molecular weight is 165.23.
The other characteristics of (R)-2-(4-Methoxyphenyl)-1-methylethanamine can be summarized as: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 2; (4)H bond donors: 2; (5)Freely Rotating Bonds: 4; (6)Nominal mass: 165; (7)Average mass: 165.2322; (8)Monoisotopic mass: 165.115364; (9)Polar Surface Area: 12.47 Å2; (10)Index of Refraction: 1.518; (11)Molar Refractivity: 50.6 cm3; (12)Molar Volume: 166.8 cm3; (13)Polarizability: 20.06×10-24cm3; (14)Surface Tension: 35.3 dyne/cm; (15)Density: 0.99 g/cm3; (16)Flash Point: 107.5 °C; (17)Enthalpy of Vaporization: 49.58 kJ/mol; (18)Boiling Point: 258.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0139 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:O(c1ccc(cc1)C[C@H](N)C)C
(2)InChI:InChI=1/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3/t8-/m1/s1
(3)InChIKey:NEGYEDYHPHMHGK-MRVPVSSYBI
(4)Std. InChI:InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3/t8-/m1/s1
(5)Std. InChIKey:NEGYEDYHPHMHGK-MRVPVSSYSA-N
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