CAS No.: 768-94-5 — Amantadine (1-金刚烷胺)

1. Primary Information

English name:	Amantadine
CAS No.:	768-94-5
Molecular formula:	C₁₀H₁₇N
Molecular weight:	151.25 g/mol
SMILES:	C1C2CC3CC1CC(C2)(C3)N
Structural class:
Other identifiers:	1 Aminoadamantane 1-Aminoadamantane Adamantylamine Adekin AL, Amantadin

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5g	GC≥98%	144	RT	in stock	-
Kehua Intelligence	1ml	100μg/ml in methanol	104	RT	in stock	-
Kehua Intelligence	5g	98%	24	RT	in stock	-
Kehua Intelligence	25g	98%	64	RT	in stock	-
Kehua Intelligence	100g	98%	232	RT	in stock	-
Kehua Intelligence	500g	98%	880	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 30 0 0 0 0 0 0 0999 V2000 2.7385 0.0003 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2768 -0.0029 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -0.7575 -1.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7955 -0.6961 1.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7876 1.4563 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7526 -0.7582 -1.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7442 -0.6971 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 1.4502 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 -1.4458 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2925 0.6949 -1.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3009 0.7560 1.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1518 -1.2947 -2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1664 -1.1898 2.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1529 2.4889 -0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1198 -1.7931 -1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1236 -0.2897 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1101 -0.1841 2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1113 -1.7304 1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1227 1.9711 -0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1176 2.0138 0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3974 -1.4693 0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -2.4881 0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 1.1932 -2.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 0.7089 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3976 0.7712 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9603 1.2982 2.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0871 0.5227 0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0819 0.4882 -0.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 11 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 17 1 0 0 0 0 7 18 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 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

adamantan-1-amine

4.2 InChI

InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2

4.3 InChIKey

DKNWSYNQZKUICI-UHFFFAOYSA-N

4.4 Canonical SMILES

C1C2CC3CC1CC(C2)(C3)N

4.5 Isomeric SMILES

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)