CAS No.: 41394-05-2 — Metamitron (苯嗪草酮)

1. Primary Information

English name:	Metamitron
CAS No.:	41394-05-2
Molecular formula:	C₁₀H₁₀N₄O
Molecular weight:	202.21 g/mol
SMILES:	CC1=NN=C(C(=O)N1N)C2=CC=CC=C2
Structural class:
Other identifiers:	4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one Goltix metamitron

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene:acetone(8:2)	80	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene:acetone(8:2)	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	100mg	99%	888	2-8℃	in stock	-
Kehua Intelligence	5g	≥98%(HPLC)	32	2-8℃	in stock	-
Kehua Intelligence	25g	≥98%(HPLC)	120	2-8℃	in stock	-
Kehua Intelligence	100g	≥98%(HPLC)	352	2-8℃	in stock	-
Kehua Intelligence	500g	≥98%(HPLC)	960	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 26 0 0 0 0 0 0 0999 V2000 -0.4289 -1.9861 0.4529 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2935 -0.6526 0.0427 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6144 1.4926 -0.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9955 1.6656 -0.1713 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -1.7180 0.1492 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 0.3118 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 0.1801 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9509 -0.9172 0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7632 0.6265 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9637 -0.9926 -0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1724 1.2296 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2566 0.8383 -0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 -1.1166 -0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5617 1.1057 0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1519 -0.0675 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 -1.8087 -0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7357 2.1499 0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4872 1.8983 -0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7239 0.4974 0.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6754 0.2736 -1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8136 -2.0237 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1841 1.9220 0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2337 -0.1627 -0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9198 -2.4035 -0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0197 -2.1599 1.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 6 2 0 0 0 0 4 9 2 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 11 14 2 0 0 0 0 11 17 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 13 15 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-one

4.2 InChI

InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3

4.3 InChIKey

VHCNQEUWZYOAEV-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=NN=C(C(=O)N1N)C2=CC=CC=C2

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)