CAS No.: 85-91-6 — Dimethyl anthranilate (2-甲氨基苯甲酸甲酯)

1. Primary Information

English name:	Dimethyl anthranilate
CAS No.:	85-91-6
Molecular formula:	C₉H₁₁NO₂
Molecular weight:	165.19 g/mol
SMILES:	CNC1=CC=CC=C1C(=O)OC
Structural class:
Other identifiers:	methyl N-methylanthranilate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	192	Buy now	RT	in stock	-
Kehua Intelligence	500g	98%	640	Buy now	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 2.4365 0.6220 -0.2944 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -1.3973 0.5507 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8627 -1.8625 -0.2955 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9781 -0.4631 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1499 0.3292 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2416 0.1249 -0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 1.7092 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3771 1.5049 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 2.2970 0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4837 -0.2542 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8922 -2.7728 0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7923 0.1626 -0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1395 -0.4606 -0.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8701 2.3539 0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -2.2391 -0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3605 1.9633 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3554 3.3711 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2223 -2.5897 1.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5129 -3.7988 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7545 -2.7186 -0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 -0.7108 -0.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0947 -0.0756 0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4297 0.9664 -0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl 2-(methylamino)benzoate

4.2 InChI

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

4.3 InChIKey

GVOWHGSUZUUUDR-UHFFFAOYSA-N

4.4 Canonical SMILES

CNC1=CC=CC=C1C(=O)OC

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)