Synonyms
C 10 (VAN); CAS-541-22-0; AKOS024386263; SR-01000003073-5; SCHEMBL487473; HMS2094A17; Decamethonii bromidum; DSSTox_CID_2886; 55C6RK944K; NCGC00261070-01;
IUPAC Name
trimethyl-[10-(trimethylazaniumyl)decyl]azanium;dibromide;
Molecular Weight
418.302g/mol
Molecular Formula
C16H38Br2N2;
Canonical SMILES
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-];
InChI
InChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2;
InChI Key
HLXQFVXURMXRPU-UHFFFAOYSA-L;
Melting Point
514 to 518 ° F (NTP, 1992);
Solubility
greater than or equal to 100 mg/mL at 66° F (NTP, 1992);
Complexity
164
Covalently-Bonded Unit Count
3
EC Number
208-772-2
Exact Mass
418.138g/mol
H-Bond Acceptor
2
Heavy Atom Count
20
Monoisotopic Mass
416.14g/mol
Rotatable Bond Count
11
Topological Polar Surface Area
0A^2
UNII
55C6RK944K
