Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: 1,4-Bis(ethenyl)benzene;(4-ethenylphenyl)-trimethylazanium;styrene;chloride
CAS No.: 12627-85-9
Molecular formula: C29H34ClN
Molecular weight: 432.0 g/mol
SMILES: C[N+](C)(C)C1=CC=C(C=C1)C=C.C=CC1=CC=CC=C1.C=CC1=CC=C(C=C1)C=C.[Cl-]
Structural class:
Other identifiers:

Dowex 1X2

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 100g - 1440 RT in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,4-bis(ethenyl)benzene;(4-ethenylphenyl)-trimethylazanium;styrene;chloride


4.2 InChI

InChI=1S/C11H16N.C10H10.C8H8.ClH/c1-5-10-6-8-11(9-7-10)12(2,3)4;1-3-9-5-7-10(4-2)8-6-9;1-2-8-6-4-3-5-7-8;/h5-9H,1H2,2-4H3;3-8H,1-2H2;2-7H,1H2;1H/q+1;;;/p-1


4.3 InChIKey

BBQMUEOYPPPODD-UHFFFAOYSA-M


4.4 Canonical SMILES

C[N+](C)(C)C1=CC=C(C=C1)C=C.C=CC1=CC=CC=C1.C=CC1=CC=C(C=C1)C=C.[Cl-]


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
-- No 3D model data available --