CAS No.: 34562-97-5 — Picamilon (匹卡米隆)

1. Primary Information

English name:	Picamilon
CAS No.:	34562-97-5
Molecular formula:	C₁₀H₁₂N₂O₃
Molecular weight:	208.21 g/mol
SMILES:	C1=CC(=CN=C1)C(=O)NCCCC(=O)O
Structural class:
Other identifiers:	GABA-NG nicotinoyl-GABA Picamilon Pikamilon

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	BR,98%	84	RT	in stock	-
Kehua Intelligence	5g	BR,98%	312	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 27 0 0 0 0 0 0 0999 V2000 -4.3479 2.1691 -0.0568 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7299 -2.0685 0.9077 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6934 0.2510 1.1072 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1515 -0.8983 -0.8909 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4666 1.1608 -1.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5073 -1.0805 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3682 -1.6550 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9194 0.3405 -0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8124 -1.1717 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0014 -0.2811 0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0766 0.8744 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7014 -0.0833 1.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 0.3389 -1.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8099 0.7557 1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 1.3482 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -1.0893 0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3761 -1.7446 -0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6463 -1.6621 -2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1768 -2.6905 -0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2159 0.3580 -1.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0732 1.0222 -0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0517 -0.1009 -1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -0.5562 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 0.1995 -2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3903 0.9410 2.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0037 2.0114 -0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0907 2.5250 0.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 27 1 0 0 0 0 2 9 2 0 0 0 0 3 11 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 5 13 1 0 0 0 0 5 15 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-(pyridine-3-carbonylamino)butanoic acid

4.2 InChI

InChI=1S/C10H12N2O3/c13-9(14)4-2-6-12-10(15)8-3-1-5-11-7-8/h1,3,5,7H,2,4,6H2,(H,12,15)(H,13,14)

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)

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)