CAS No.: 2566-30-5 — N-Methyl-L-phenylalanine (N-甲基-L-苯丙氨酸)

1. Primary Information

English name:	N-Methyl-L-phenylalanine
CAS No.:	2566-30-5
Molecular formula:	C₁₀H₁₃NO₂
Molecular weight:	179.22 g/mol
SMILES:	CNC(CC1=CC=CC=C1)C(=O)O
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	96%	84	RT	in stock	-
Kehua Intelligence	5g	96%	280	RT	in stock	-
Kehua Intelligence	25g	96%	1200	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 26 0 1 0 0 0 0 0999 V2000 -1.4995 -1.3354 -1.4914 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8334 -1.6964 0.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7747 1.0656 0.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 0.5835 -0.0629 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3678 0.9819 0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 0.5209 0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6181 -0.9238 -0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 -0.7244 0.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7563 1.3524 -0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 0.7243 -0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7168 -1.1502 0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0147 0.9264 -0.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4949 -0.3248 -0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2848 1.0227 -1.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5601 0.5715 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3518 2.0728 1.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7334 2.0792 0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8664 -1.3733 1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3896 2.3273 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6505 1.0718 -1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7697 1.2196 -0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0721 -0.3475 -0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0915 -2.1236 0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6205 1.5688 -1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4749 -0.6562 -0.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -2.3078 -1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 26 1 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 9 12 2 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2S)-2-(methylamino)-3-phenylpropanoic acid

4.2 InChI

InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m0/s1

4.3 InChIKey

SCIFESDRCALIIM-VIFPVBQESA-N

4.4 Canonical SMILES

CNC(CC1=CC=CC=C1)C(=O)O

4.5 Isomeric SMILES

CN[C@@H](CC1=CC=CC=C1)C(=O)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)