CAS No.: 87-25-2 — Ethyl anthranilate (邻氨基苯甲酸乙酯)

1. Primary Information

English name:	Ethyl anthranilate
CAS No.:	87-25-2
Molecular formula:	C₉H₁₁NO₂
Molecular weight:	165.19 g/mol
SMILES:	CCOC(=O)C1=CC=CC=C1N
Structural class:
Other identifiers:	ethyl anthranilate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25ml	99%	144	RT	in stock	-
Kehua Intelligence	100ml	99%	440	RT	in stock	-
Kehua Intelligence	500ml	99%	1760	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 23 0 0 0 0 0 0 0999 V2000 1.8850 0.3587 -0.1074 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2029 -1.7123 0.6308 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3162 -2.2376 -0.3703 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4057 -0.0262 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -0.8493 -0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5996 1.3422 0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7699 -0.3038 -0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9429 -0.5649 0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8786 1.8875 0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2538 -0.0536 -0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9638 1.0645 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1403 1.0948 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 2.0095 0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6245 -0.9336 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4894 -0.3369 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4127 -0.9143 -0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0305 2.9523 0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9597 1.4891 -0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1959 0.8138 -0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9022 1.4008 -1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9771 1.9691 0.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3998 -2.6587 -0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1158 -2.8172 -0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 8 2 0 0 0 0 3 5 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 7 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

ethyl 2-aminobenzoate

4.2 InChI

InChI=1S/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3

4.3 InChIKey

TWLLPUMZVVGILS-UHFFFAOYSA-N

4.4 Canonical SMILES

CCOC(=O)C1=CC=CC=C1N

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)