Benzyltrimethylammonium tribromide

• Catalog Number: ACM111865475
• Product Name: Benzyltrimethylammonium tribromide
• CAS: 111865-47-5
• Category: Bromine Series
• Synonyms: Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide
• IUPAC Name: benzyl(trimethyl)azanium;tribromide
• Molecular Weight: 389.96
• Molecular Formula: C10H16Br3N
• Canonical SMILES: C[N+](C)(C)CC1=CC=CC=C1.Br[Br-]Br
• InChI: InChI=1S/C10H16N.Br3/c1-11(2,3)9-10-7-5-4-6-8-10;1-3-2/h4-8H,9H2,1-3H3;/q+1;-1
• InChI Key: OQESKQAHRXOSMS-UHFFFAOYSA-N
• Melting Point: 99-101 °C
• Appearance: Orange yellow crystal
• Storage: Keep in dark place, Inert atmosphere, Room Temperature
• Complexity: 107
• Covalently-Bonded Unit Count: 2
• Exact Mass: 388.88124
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 14
• Monoisotopic Mass: 386.88329
• Safety Description: S26-S36
• Topological Polar Surface Area: 0 Ų
• WGK Germany: 3

Custom Q&A

What is the molecular formula of Benzyltrimethylammonium tribromide?

The molecular formula of Benzyltrimethylammonium tribromide is C10H16Br3N.

What is the molecular weight of Benzyltrimethylammonium tribromide?

The molecular weight of Benzyltrimethylammonium tribromide is 389.95 g/mol.

What is the CAS number of Benzyltrimethylammonium tribromide?

The CAS number of Benzyltrimethylammonium tribromide is 111865-47-5.

What is the InChI of Benzyltrimethylammonium tribromide?

The InChI of Benzyltrimethylammonium tribromide is InChI=1S/C10H16N.Br3/c1-11(2,3)9-10-7-5-4-6-8-10;1-3-2/h4-8H,9H2,1-3H3;/q+1;-1.

What is the InChIKey of Benzyltrimethylammonium tribromide?

The InChIKey of Benzyltrimethylammonium tribromide is OQESKQAHRXOSMS-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Benzyltrimethylammonium tribromide have?

Benzyltrimethylammonium tribromide has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Benzyltrimethylammonium tribromide have?

Benzyltrimethylammonium tribromide has 1 hydrogen bond acceptor count.

How many rotatable bond counts does Benzyltrimethylammonium tribromide have?

Benzyltrimethylammonium tribromide has 2 rotatable bond counts.

What is the topological polar surface area of Benzyltrimethylammonium tribromide?

The topological polar surface area of Benzyltrimethylammonium tribromide is 0Ų.

Is Benzyltrimethylammonium tribromide canonicalized?

Yes, Benzyltrimethylammonium tribromide is canonicalized.