AG00149Z

13311-45-0 | 1-Butanaminium, N,N,N-tributyl-, (triiodide) (1:1)

AG00149Z

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CAS Number	13311-45-0
Catalog Number	AG00149Z(AGN-PC-0PJX1Q)
Chemical Name	1-Butanaminium, N,N,N-tributyl-, (triiodide) (1:1)
IUPAC Name	tetrabutylazanium;triiodide
InChI	InChI=1S/C16H36N.I3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-2/h5-16H2,1-4H3;/q+1;-1
InChI Key	SBSSZSCMFDYICE-UHFFFAOYSA-N
MDL Number	MFCD00059123
Molecular Formula	C16H36I3N
Molecular Weight	623.1772
SMILES	CCCC[N+](CCCC)(CCCC)CCCC.I[I-]I
Synonyms	Tetrabutylammonium triiodide, 13311-45-0, tetra-n-butylammonium triiodide, SCHEMBL987328, MFCD00059123, AKOS027250834, AK176140, Tetrabutylammonium triiodide, >=97.0% (AT), I14-102749, T1271, Tetrabutylammonium triiodide, 97% - 1G 1g,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	622.998g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	623.184g/mol
Monoisotopic Mass	622.998g/mol
Rotatable Bond Count	12
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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