Synonyms
EINECS 226-446-8; TRA0083276; TR-019090; NSC-10409; triethylbenzylammonium iodide; C13H22IN; CTK4J9303; MFCD00043178; BENZYLTRIETHYLAMMONIUMIODIDE; benzyl(triethyl)ammonium hydroiodide;
IUPAC Name
benzyl(triethyl)azanium;iodide;
Molecular Weight
319.23g/mol
Molecular Formula
C13H22IN;
Canonical SMILES
CC[N+](CC)(CC)CC1=CC=CC=C1.[I-];
InChI
InChI=1S/C13H22N.HI/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1;
InChI Key
JWLJBISFJGEYMT-UHFFFAOYSA-M;
Complexity
135
Covalently-Bonded Unit Count
2
EC Number
226-446-8
Exact Mass
319.08g/mol
H-Bond Acceptor
1
Heavy Atom Count
15
Monoisotopic Mass
319.08g/mol
NSC Number
10409
Rotatable Bond Count
5
Topological Polar Surface Area
0A^2
