AG003O5A

5400-94-2 | N-Benzyl-N,N-diethylethanaminium iodide

AG003O5A

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CAS Number	5400-94-2
Catalog Number	AG003O5A(AGN-PC-0JLO2V)
Chemical Name	N-Benzyl-N,N-diethylethanaminium iodide
EC Number	226-446-8
IUPAC Name	benzyl(triethyl)azanium;iodide
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
MDL Number	MFCD00043178
Molecular Formula	C13H22IN
Molecular Weight	319.2250
NSC Number	10409
SMILES	[N+](Cc1ccccc1)(CC)(CC)CC.[I-]
Synonyms	Benzyltriethylammonium iodide, 5400-94-2, N-Benzyl-N,N-diethylethanaminium iodide, BENZYLTRIETHYLAMMONIUMIODIDE, EINECS 226-446-8, ACMC-1B1WK, AC1L3V6X, triethylbenzylammonium iodide, benzyl(triethyl)azanium iodide, SCHEMBL239644, C13H22IN, CTK4J9303, benzyl(triethyl)ammonium hydroiodide, NSC10409, 7741AB, ANW-31922, MFCD00043178, NSC-10409, AKOS015833235, API0001660, TRA0083276, KS-0000178O, AK116805, AX8116349, TR-019090, B0446, FT-0721131, ST24031364, C-48784, Benzenemethanaminium,N,N,N-triethyl-, iodide (1:1), I14-102095, C13H22N.I, C13-H22-N.I, CID122756, N-Benzyl-N,N-diethylethanaminiumiodide,

Complexity	135
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	319.08g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	319.23g/mol
Monoisotopic Mass	319.08g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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