N-Methyl-1-(thiophen-2-yl)propan-2-amine (Methiopropamine) [C8H13NS]

Query Query S

H N

1. Query

Results

Date

3 substances in Reaxys

2018-06-17 19h:12m:02s (UTC)

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Reaxys ID 112888 View in Reaxys

1/3

S

Chemical Name: methiopropamine; methyl-(1-methyl-2-[2]thienylethyl)-amine; Methyl-(1-methyl-2-[2]thienyl-aethyl)-amin Linear Structure Formula: C8H13NS Molecular Formula: C8H13NS Molecular Weight: 155.264 Type of Substance: heterocyclic InChI Key: HPHUWHKFQXTZPS-UHFFFAOYSA-N Note:

H N

Druglikeness (1) 1 of 1

LogP

1.214

H Bond Donors

1

H Bond Acceptors

1

Rotatable Bonds

3

TPSA

40.27

Lipinski Number

4

Veber Number

2

Boiling Point (1) Boiling Point [°C] 85 - 88

Pressure (Boiling Point) [Torr]

References

14

Blicke; Burckhalter; Journal of the American Chemical Society; vol. 64; (1942); p. 477,479, View in Reaxys

Mass Spectrometry (1) Description (Mass References Spectrometry) time-of-flight mass spectra (TOFMS); spectrum

Lanza, Matteo; Acton, W. Joe; Sulzer, Philipp; Breiev, Kostiantyn; Jürschik, Simone; Jordan, Alfons; Hartungen, Eugen; Hanel, Gernot; Märk, Lukas; Märk, Tilmann D.; Mayhew, Chris A.; Journal of Mass Spectrometry; vol. 50; nb. 2; (2015); p. 427 - 431, View in Reaxys

Reaxys ID 3695400 View in Reaxys

S

2/3 CAS Registry Number: 7464-94-0 Chemical Name: methyl-(1-methyl-2-[2]thienyl-ethyl)-amine; hydrochloride; Methyl-(1-methyl-2-[2]thienyl-aethyl)-amin; Hydrochlorid Linear Structure Formula: C8H13NS*ClH Molecular Formula: C8H13NS*ClH Molecular Weight: 191.725 Type of Substance: heterocyclic InChI Key: GZPAWYXVXNYUGT-UHFFFAOYSA-N Note:

H N Cl

H

Druglikeness (1) 1 of 1

LogP

1.726

H Bond Donors

1

H Bond Acceptors

1

Rotatable Bonds

3

TPSA

40.27

Lipinski Number

4

Veber Number

2

Melting Point (1) 1 of 1

Melting Point [°C]

133 - 135

Solvent (Melting Point)

ethanol; diethyl ether

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2018-06-17 19:23:42

Blicke; Burckhalter; Journal of the American Chemical Society; vol. 64; (1942); p. 477,479, View in Reaxys

Reaxys ID 29033138 View in Reaxys

3/3 Chemical Name: methiopropamine Linear Structure Formula: C8H13NS Molecular Formula: C8H13NS Molecular Weight: 155.264 InChI Key: HPHUWHKFQXTZPS-SSDOTTSWSA-N Note:

S H N

Druglikeness (1) 1 of 1

LogP

1.214

H Bond Donors

1

H Bond Acceptors

1

Rotatable Bonds

3

TPSA

40.27

Lipinski Number

4

Veber Number

2

NMR Spectroscopy (2) 1 of 2

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

chloroform-d1

Location

supporting information

Lee; Silverson; Jones; Ho; Fletcher; McNaul; Peters; Speers; Bell; Chemical Communications; vol. 52; nb. 3; (2015); p. 493 - 496, View in Reaxys 2 of 2

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Location

supporting information

Lee; Silverson; Jones; Ho; Fletcher; McNaul; Peters; Speers; Bell; Chemical Communications; vol. 52; nb. 3; (2015); p. 493 - 496, View in Reaxys Mass Spectrometry (1) Description (Mass Location Spectrometry)

References

gas chromatograsupporting informa- Lee; Silverson; Jones; Ho; Fletcher; McNaul; Peters; Speers; Bell; Chemical Communicaphy mass spectrom- tion tions; vol. 52; nb. 3; (2015); p. 493 - 496, View in Reaxys etry (GCMS); fragmentation pattern; spectrum Raman Spectroscopy (1) Description (Ram- References an Spectroscopy) Bands; Spectrum

Lee; Silverson; Jones; Ho; Fletcher; McNaul; Peters; Speers; Bell; Chemical Communications; vol. 52; nb. 3; (2015); p. 493 - 496, View in Reaxys

Copyright © 2018 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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2018-06-17 19:23:42