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

1. Primary Information

English name: Benzyltrimethylammonium bromide
CAS No.: 5350-41-4
Molecular formula: C10H16BRN
Molecular weight: 230.14 g/mol
SMILES: C[N+](C)(C)CC1=CC=CC=C1.[Br-]
Structural class:
Other identifiers:

benzyltrimethylammonium

benzyltrimethylammonium acetate

benzyltrimethylammonium bromide

benzyltrimethylammonium butanoate

benzyltrimethylammonium carbonate (2:1)

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 25g ≥98%(HPLC) 24 RT in stock -
Kehua Intelligence 100g ≥98%(HPLC) 76 RT in stock -
Kehua Intelligence 500g ≥98%(HPLC) 264 RT in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

benzyl(trimethyl)azanium;bromide


4.2 InChI

InChI=1S/C10H16N.BrH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1


4.3 InChIKey

UUZYBYIOAZTMGC-UHFFFAOYSA-M


4.4 Canonical SMILES

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


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 --