CAS No.: 949-67-7 — L-Tyrosine ethyl ester (L-酪氨酸乙酯)

1. Primary Information

English name:	L-Tyrosine ethyl ester
CAS No.:	949-67-7
Molecular formula:	C₁₁H₁₅NO₃
Molecular weight:	209.24 g/mol
SMILES:	CCOC(=O)C(CC1=CC=C(C=C1)O)N
Structural class:
Other identifiers:	ethyl tyrosine ethyl tyrosine ester ethyl tyrosine ester hydrochloride, (D)-isomer ethyl tyrosine ester hydrochloride, (L)-isomer ethyl tyrosine ester, (D)-isomer

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	BR，98%	48	-20℃	in stock	-
Kehua Intelligence	5g	BR，98%	96	-20℃	in stock	-
Kehua Intelligence	25g	BR，98%	296	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 30 0 1 0 0 0 0 0999 V2000 -1.4817 -1.1159 -0.4909 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9148 -0.2856 1.1134 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1646 -0.8520 0.0333 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0997 2.0021 -0.4227 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 1.9448 0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8729 1.2077 -0.5076 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5787 1.1957 0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1636 -0.1260 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.2990 1.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4507 1.4206 -0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0948 -0.3919 1.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 0.7296 -0.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9837 -0.1767 0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -2.4400 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8668 -3.4114 -0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9949 2.1289 1.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 2.9399 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6376 1.0436 -1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2017 0.1258 1.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2071 2.1227 -1.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8363 1.5518 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9471 2.9128 -0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3399 -1.0966 1.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 0.9057 -1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3703 -2.4851 1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7483 -2.6980 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9987 -4.4361 -0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -3.3648 -1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1965 -3.1541 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -0.5815 -0.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 8 2 0 0 0 0 3 13 1 0 0 0 0 3 30 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 10 12 2 0 0 0 0 10 20 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 14 15 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

4.2 InChI

InChI=1S/C11H15NO3/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8/h3-6,10,13H,2,7,12H2,1H3/t10-/m0/s1

4.3 InChIKey

SBBWEQLNKVHYCX-JTQLQIEISA-N

4.4 Canonical SMILES

CCOC(=O)C(CC1=CC=C(C=C1)O)N

4.5 Isomeric SMILES

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