CAS No.: 17481-27-5 — 3-Amino-4-methoxybenzamide (3-氨基-4-甲氧基苯甲酰胺)

1. Primary Information

English name:	3-Amino-4-methoxybenzamide
CAS No.:	17481-27-5
Molecular formula:	C₈H₁₀N₂O₂
Molecular weight:	166.18 g/mol
SMILES:	COC1=C(C=C(C=C1)C(=O)N)N
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	120	RT	in stock	-
Kehua Intelligence	5g	98%	64	RT	in stock	-
Kehua Intelligence	25g	98%	160	RT	in stock	-
Kehua Intelligence	100g	98%	576	RT	in stock	-
Kehua Intelligence	500g	98%	2240	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 22 0 0 0 0 0 0 0999 V2000 2.9004 -0.4576 0.3546 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 1.1661 -0.2181 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 2.1089 0.1299 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4199 -1.1142 -0.0953 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9676 0.9463 0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -0.0720 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5493 -0.3165 0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4175 1.0685 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6389 -1.3347 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -1.4569 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6646 0.0549 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6394 -0.5927 -0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8603 2.0582 -0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1993 -2.2617 0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1932 -2.4436 0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3396 3.0209 0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7725 2.0293 0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4867 0.2753 -1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3481 -1.5084 -1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 -0.6576 -0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0591 -2.0553 -0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4295 -1.0529 -0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 11 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-amino-4-methoxybenzamide

4.2 InChI

InChI=1S/C8H10N2O2/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H2,10,11)

4.3 InChIKey

INCJNDAQNPWMPZ-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=C(C=C(C=C1)C(=O)N)N

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)