CAS No.: 51387-90-7 — 2-(2-Aminoethyl)-1-methylpyrrolidine (N-甲基-2-(2-氨乙基)-吡咯烷)

1. Primary Information

English name:	2-(2-Aminoethyl)-1-methylpyrrolidine
CAS No.:	51387-90-7
Molecular formula:	C₇H₁₆N₂
Molecular weight:	128.22 g/mol
SMILES:	CN1CCCC1CCN
Structural class:
Other identifiers:	2-(2-aminoethyl)-1-methylpyrrolidine

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	HPLC≥98%	160	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 25 0 1 0 0 0 0 0999 V2000 -1.2303 0.7131 -0.2999 N 0 0 1 0 0 0 0 0 0 0 0 0 3.6783 0.1051 -0.2106 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 0.0418 0.3265 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3620 -1.4362 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -1.5323 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3874 -0.1156 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2599 0.4820 -0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4072 2.0901 0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4036 -0.3480 0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0957 0.1994 1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0303 -2.0696 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1334 -1.7897 -0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0968 -1.8938 -1.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3278 -2.2264 0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2483 0.0889 -0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6915 0.0292 1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4301 1.5418 -0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2529 0.3924 -1.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3028 2.5249 -0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5643 2.7143 -0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 2.1677 1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2923 -1.4096 0.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4295 -0.2581 1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8086 1.0941 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6614 0.0351 -1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 11 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 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-(1-methylpyrrolidin-2-yl)ethanamine

4.2 InChI

InChI=1S/C7H16N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-6,8H2,1H3

4.3 InChIKey

PNHGJPJOMCXSKN-UHFFFAOYSA-N

4.4 Canonical SMILES

CN1CCCC1CCN

4.5 Isomeric SMILES

4.6 SDF file

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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)

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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)