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2 substances in Reaxys
2016-06-01 20h:26m:02s (EST)
N
1. Query
NH
Search as: As drawn
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Reaxys ID 5934418 View in Reaxys
1/2 CAS Registry Number: 96096-52-5 Linear Structure Formula: C14H20N2 Molecular Formula: C14H20N2 Molecular Weight: 216.326 Type of Substance: heterocyclic InChI Key: KTQJVAJLJZIKKD-UHFFFAOYSA-N Note:
N
NH
Substance Label (1) Label References 1
Repke, David B.; Grotjahn, Douglas B.; Shulgin, Alexander T.; Journal of Medicinal Chemistry; vol. 28; nb. 7; (1985); p. 892 - 896, View in Reaxys
Melting Point (1) 1 of 1
Melting Point [°C]
82 - 83
Repke, David B.; Grotjahn, Douglas B.; Shulgin, Alexander T.; Journal of Medicinal Chemistry; vol. 28; nb. 7; (1985); p. 892 - 896, View in Reaxys Pharmacological Data (2) 1 of 2
Comment (Pharmacological Data)
Bioactivities present
Repke, David B.; Grotjahn, Douglas B.; Shulgin, Alexander T.; Journal of Medicinal Chemistry; vol. 28; nb. 7; (1985); p. 892 - 896, View in Reaxys; McKenna; Repke; Lo; Peroutka; Neuropharmacology; vol. 29; nb. 3; (1990); p. 193 - 198, View in Reaxys; Repke; Grotjahn; Shulgin; Journal of Medicinal Chemistry; vol. 28; nb. 7; (1985); p. 892 - 896, View in Reaxys 2 of 2
Comment (Pharmacological Data)
hallucinogenic activity in man, effective dose: 25 mg, 0.33 mg/kg
Repke, David B.; Grotjahn, Douglas B.; Shulgin, Alexander T.; Journal of Medicinal Chemistry; vol. 28; nb. 7; (1985); p. 892 - 896, View in Reaxys
Reaxys ID 18865462 View in Reaxys
2H
2H
2/2 CAS Registry Number: 1174656-35-9 Chemical Name: N-methyl-N-isopropyl-[α,α,β,β-d4]-tryptamine Linear Structure Formula: C14H16 (2)H4N2 Molecular Formula: C14H20N2 Molecular Weight: 220.294 InChI Key: KTQJVAJLJZIKKD-LZMSFWOYSA-N Note:
N 2H
2H
NH
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
300.1
Brandt, Simon D.; Tirunarayanapuram, Sri Subha; Freeman, Sally; Dempster, Nicola; Barker, Steven A.; Daley, Paul F.; Cozzi, Nicholas V.; Martins, Claudia P. B.; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 51; nb. 14; (2008); p. 423 - 429, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
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Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
75.5
Brandt, Simon D.; Tirunarayanapuram, Sri Subha; Freeman, Sally; Dempster, Nicola; Barker, Steven A.; Daley, Paul F.; Cozzi, Nicholas V.; Martins, Claudia P. B.; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 51; nb. 14; (2008); p. 423 - 429, View in Reaxys Mass Spectrometry (1) Description (Mass Comment (Mass Spectrometry) Spectrometry) ESI (Electrospray mol peak ionisation); HRMS (High resolution mass spectrometry)
References Brandt, Simon D.; Tirunarayanapuram, Sri Subha; Freeman, Sally; Dempster, Nicola; Barker, Steven A.; Daley, Paul F.; Cozzi, Nicholas V.; Martins, Claudia P. B.; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 51; nb. 14; (2008); p. 423 429, View in Reaxys
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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