CAS No.: 7424-00-2 — Fenclonine (4-氯-DL-苯基丙氨酸)

1. Primary Information

English name:	Fenclonine
CAS No.:	7424-00-2
Molecular formula:	C₉H₁₀ClNO₂
Molecular weight:	199.63 g/mol
SMILES:	C1=CC(=CC=C1CC(C(=O)O)N)Cl
Structural class:
Other identifiers:	CP-10,188 DL-3-(4-Chlorophenyl)alanine Fenclonin Fenclonine Fenclonine (L)-Isomer

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	≥98%	72	2-8℃	in stock	-
Kehua Intelligence	5g	≥98%	280	2-8℃	in stock	-
Kehua Intelligence	25g	≥98%	520	2-8℃	in stock	-
Kehua Intelligence	100g	≥98%	1920	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 23 0 1 0 0 0 0 0999 V2000 4.5349 -0.6804 -0.4304 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7641 -1.6143 -1.0149 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 -1.2077 0.4399 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2806 1.4660 -0.2652 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0996 1.0138 0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0778 0.6367 -0.3644 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3200 0.5872 0.4584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7492 -0.6661 0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1617 1.4584 -0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5295 -0.8046 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0588 -1.0597 0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 1.0648 -0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 -0.1942 -0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 0.5848 1.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0993 2.1023 0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6441 0.8016 -1.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0877 -1.3463 1.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8207 2.4396 -0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7312 1.3243 0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9553 1.1876 -0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3946 -2.0436 0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 1.7492 -1.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0463 -2.5519 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 23 1 0 0 0 0 3 10 2 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 9 12 2 0 0 0 0 9 18 1 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-amino-3-(4-chlorophenyl)propanoic acid

4.2 InChI

InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)

4.3 InChIKey

NIGWMJHCCYYCSF-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1CC(C(=O)O)N)Cl

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)