CAS No.: 63-91-2 — Phenylalanine (L-苯丙氨酸)

1. Primary Information

English name:	Phenylalanine
CAS No.:	63-91-2
Molecular formula:	C₉H₁₁NO₂
Molecular weight:	165.19 g/mol
SMILES:	C1=CC=C(C=C1)CC(C(=O)O)N
Structural class:
Other identifiers:	Endorphenyl L-Isomer Phenylalanine L-Phenylalanine Phenylalanine Phenylalanine, L Isomer

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	200mg	HPLC≥98%	48	Buy now	2-8℃	in stock	-
Kehua Intelligence	25g	BR，99%	22	Buy now	2-8℃	in stock	-
Kehua Intelligence	100g	BR，99%	40	Buy now	2-8℃	in stock	-
Kehua Intelligence	500g	BR，99%	136	Buy now	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 -1.5606 -1.5480 -1.0372 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1863 -1.0236 0.4554 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7945 1.6326 -0.1118 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 0.9812 0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 0.7241 -0.2957 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7593 0.4612 0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1082 -0.8355 0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 1.2913 -0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2259 -0.6859 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3708 -1.3157 0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8996 0.8109 -0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2665 -0.4925 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 0.5378 1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5161 2.0589 0.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2654 0.8943 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4193 -1.4840 1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3595 2.3068 -0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4744 2.5968 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1587 1.5450 0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6567 -2.3305 0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 1.4516 -1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2496 -0.8665 -0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9362 -2.4531 -0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 23 1 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 8 11 2 0 0 0 0 8 17 1 0 0 0 0 10 12 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

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

4.2 InChI

InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1

4.3 InChIKey

COLNVLDHVKWLRT-QMMMGPOBSA-N

4.4 Canonical SMILES

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

4.5 Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)N

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)