CAS No.: 120-29-6 — Tropine (α-托品醇)

1. Primary Information

English name:	Tropine
CAS No.:	120-29-6
Molecular formula:	C₈H₁₅NO
Molecular weight:	141.21 g/mol
SMILES:	CN1C2CCC1CC(C2)O
Structural class:
Other identifiers:	pseudotropine tropine tropine hydrobromide, (endo)-isomer tropine hydrochloride, (endo)-isomer tropine hydrochloride, (exo)-isomer

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	GC≥99%	160	2-8℃	in stock	-
Kehua Intelligence	5g	98%	40	2-8℃	in stock	-
Kehua Intelligence	25g	98%	112	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 26 0 1 0 0 0 0 0999 V2000 2.9976 0.0063 -0.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0091 0.0059 -0.8764 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5894 -1.1518 -0.0642 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5832 1.1527 -0.0518 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9705 -0.7717 1.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9665 0.7590 1.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9371 -1.2735 -0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9439 1.2681 -0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -0.0065 0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 0.0113 -1.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0608 -2.0885 -0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0497 2.0953 -0.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2829 -1.1854 2.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9761 -1.1352 1.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 1.1252 1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 1.1612 2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3163 -2.1320 0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1721 -1.4898 -1.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 1.4949 -1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 2.1188 0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 -0.0079 1.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7107 -0.8633 -1.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 0.8938 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0705 0.0082 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4379 -0.8138 -0.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

4.2 InChI

InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?

4.3 InChIKey

CYHOMWAPJJPNMW-DHBOJHSNSA-N

4.4 Canonical SMILES

CN1C2CCC1CC(C2)O

4.5 Isomeric SMILES

CN1[C@@H]2CC[C@H]1CC(C2)O

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)