CAS No.: 108-78-1 — Melamine (三聚氰胺)

1. Primary Information

English name:	Melamine
CAS No.:	108-78-1
Molecular formula:	C₃H₆N₆
Molecular weight:	126.12 g/mol
SMILES:	C1(=NC(=NC(=N1)N)N)N
Structural class:
Other identifiers:	1,3,5-triazine-2,4,6-triamine 2,4,6-triamino-s-triazine melamine melamine bis(oxymethyl)phosphonic acid salt melamine oxalate (1:1)

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	200mg	HPLC≥98%	80	Buy now	2-8℃	in stock	-
Kehua Intelligence	1g	HPLC≥98%	280	Buy now	2-8℃	in stock	-
Kehua Intelligence	5ml	1000μg/ml in methanol:watere(1:1)	72	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,3,5-triazine-2,4,6-triamine

4.2 InChI

InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)

4.3 InChIKey

JDSHMPZPIAZGSV-UHFFFAOYSA-N

4.4 Canonical SMILES

C1(=NC(=NC(=N1)N)N)N

4.5 Isomeric SMILES

4.6 SDF file

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 9 9 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 0.866025 -0.5 0 0
M  V30 2 N 0.866025 -1.5 0 0
M  V30 3 C 3.41038e-16 -2 0 0
M  V30 4 N -0.866025 -1.5 0 0
M  V30 5 C -0.866025 -0.5 0 0
M  V30 6 N 0 -0 0 0
M  V30 7 N -1.73205 -7.77156e-16 0 0
M  V30 8 N 4.00535e-16 -3 0 0
M  V30 9 N 1.73205 -1.11022e-15 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 2 1 2
M  V30 3 1 1 9
M  V30 4 1 2 3
M  V30 5 2 3 4
M  V30 6 1 3 8
M  V30 7 1 4 5
M  V30 8 2 5 6
M  V30 9 1 5 7
M  V30 END BOND
M  V30 END CTAB
M  END

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)

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)