CAS No.: 5915-41-3 — Terbuthylazine (-)

1. Primary Information

English name:	Terbuthylazine
CAS No.:	5915-41-3
Molecular formula:	C₉H₁₆ClN₅
Molecular weight:	229.71 g/mol
SMILES:	CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C
Structural class:
Other identifiers:	Click 500 SC Gardoprim terbuthylazine terbutylazine terbythylazine

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene	312	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	104	2-8℃	in stock	-
Kehua Intelligence	250mg	99%	704	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	83	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000 μg/mL in methanol	249	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 31 31 0 0 0 0 0 0 0999 V2000 2.2545 -3.5909 0.0008 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9041 -0.9110 0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1332 0.2513 -0.0024 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -2.1478 0.0023 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2019 1.3565 -0.0058 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -0.9878 -0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6819 0.3147 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1751 -0.0327 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3359 1.1278 1.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3464 1.1274 -1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -0.9362 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 0.1481 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5749 2.6412 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -2.0957 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6252 3.7350 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4402 -0.6248 0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7978 0.8688 0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4437 -0.6265 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3494 1.5961 1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3892 0.5076 2.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0512 1.9496 1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4133 0.5072 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 1.9534 -1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3563 1.5885 -1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3813 -1.8052 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9524 2.7615 -0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9302 2.7545 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2121 1.2742 -0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2553 3.6600 0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2785 3.6695 -0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1503 4.7210 0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 2 25 1 0 0 0 0 3 11 1 0 0 0 0 3 12 2 0 0 0 0 4 11 2 0 0 0 0 4 14 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 28 1 0 0 0 0 6 12 1 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine

4.2 InChI

InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)

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)