CAS No.: 102-06-7 — 1,3-Diphenylguanidine (二苯胍)

1. Primary Information

English name:	1,3-Diphenylguanidine
CAS No.:	102-06-7
Molecular formula:	C₁₃H₁₃N₃
Molecular weight:	211.26 g/mol
SMILES:	C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N
Structural class:
Other identifiers:	1,3-diphenylguanidine diphenylguanidine diphenylguanidine hydrochloride diphenylguanidine monohydrochloride diphenylguanidine sulfate (2:1)

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25g	AR，99%	24	RT	in stock	-
Kehua Intelligence	100g	AR，99%	48	RT	in stock	-
Kehua Intelligence	500g	AR，99%	148	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 30 0 0 0 0 0 0 0999 V2000 1.2610 1.3447 0.3163 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6188 -0.0846 -0.0501 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8204 2.2273 0.5426 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3582 0.4764 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5713 0.9768 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2281 -0.8813 0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0088 -0.2331 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 1.0841 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6554 0.1184 -0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 -1.7397 0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7016 -0.0144 -1.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7026 -0.5992 1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 -1.2398 -0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0882 -0.1616 -1.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0893 -0.7465 1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 -0.5277 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5322 2.3225 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6851 2.0329 -0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3151 -1.3039 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6005 0.5075 -0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -2.7959 0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1698 0.2709 -2.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1717 -0.7722 1.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 -1.9078 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6277 0.0088 -2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6296 -1.0315 1.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8616 -0.6423 -0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3517 3.0973 0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8341 2.2415 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 3 8 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 6 10 2 0 0 0 0 6 19 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 9 13 2 0 0 0 0 9 20 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 12 15 2 0 0 0 0 12 23 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 16 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,2-diphenylguanidine

4.2 InChI

InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)

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)