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Basic Information
CAS No.: 8043-47-8
Name: Benzyldimethyldodecylammonium bromide
Molecular Structure:
Molecular Structure of 8043-47-8 (Benzyldimethyldodecylammonium bromide)
Formula: C21H38BrN
Molecular Weight: 384.44
Synonyms: Ammoniumcompounds, substituted, alkylbenzyldimethyl-bromides;Alkylbenzyldimethylammoniumbromides;Benzalkonium bromide;Bromogeramine;
EINECS: 230-698-4
Melting Point: 50-55 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38
Safety: 26-36
Transport Information: UN 2811 6.1/PG 3
PSA: 0.00000
LogP: 3.18790
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Specification

The Quaternary ammoniumcompounds, alkylbenzyldimethyl, bromides with CAS registry number of 8043-47-8 is also known as Benzyldimethyldodecylammonium bromide. The IUPAC name is Benzyl-dodecyl-dimethylazanium bromide. Its EINECS registry number is 230-698-4. In addition, the formula is C21H38BrN and the molecular weight is 384.44. What's more, this chemical should be sealed at the temperature of 2-8 °C.

Physical properties about Quaternary ammoniumcompounds, alkylbenzyldimethyl, bromides are: (1)H-Bond Acceptor: 1; (2)Rotatable Bond Count: 13; (3)Exact Mass: 383.218763; (4)MonoIsotopic Mass: 383.218763; (5)Heavy Atom Count: 23; (6)Complexity: 240; (7)Covalently-Bonded Unit Count: 2.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is harmful if swallowed. During using it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]
2. InChI: InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,
3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,
1-3H3;1H/q+1;/p-1
3. InChIKey: KHSLHYAUZSPBIU-UHFFFAOYSA-M