CAS No.: 516-21-2 — Cycloguanil (环氯胍-D6)

1. Primary Information

English name:	Cycloguanil
CAS No.:	516-21-2
Molecular formula:	C₁₁H₁₄ClN₅
Molecular weight:	251.71 g/mol
SMILES:	CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C
Structural class:
Other identifiers:	1,3,5-triazine-2,4-diamine, 1-(4-chlorophenyl)-1,6-dihydro-6,6-dimethyl-, hydrochloride (1:1) 1-(4-chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,2,5-triazine-2,4-diamine 1-(4-chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine monohydrochloride BN-24-10 BN2410

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1mg	-	5760	-20°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 31 32 0 0 0 0 0 0 0999 V2000 5.3813 -0.0312 -0.2102 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5466 0.1343 0.1414 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7543 -1.0036 -0.0982 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5802 1.3498 -0.0733 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5857 2.4980 0.1798 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6418 0.2829 -0.4187 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3071 -1.1358 0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8054 -2.1034 -0.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 -1.8131 1.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8601 0.0951 0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2802 1.3141 0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2907 0.1737 -0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6508 0.1944 1.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5019 -0.0444 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0428 0.1557 1.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8938 -0.0833 -1.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6642 0.0168 -0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -2.4388 -0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8667 -1.6482 -1.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4271 -3.0073 -0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1704 -2.0884 1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5607 -1.1440 2.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -2.7262 1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 0.3049 2.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9218 -0.1022 -2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4188 2.5389 0.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0747 3.3860 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6303 0.2352 2.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3644 -0.1871 -2.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0904 1.1892 -0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2267 -0.5398 -0.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 7 1 0 0 0 0 3 12 2 0 0 0 0 4 11 2 0 0 0 0 4 12 1 0 0 0 0 5 11 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 12 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

4.2 InChI

InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)

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)