AG007XKM

104-73-4 | 1-Dodecylpyridin-1-ium bromide

AG007XKM

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CAS Number	104-73-4
Catalog Number	AG007XKM(AGN-PC-0JL7HG)
Chemical Name	1-Dodecylpyridin-1-ium bromide
EC Number	203-231-7
IUPAC Name	1-dodecylpyridin-1-ium;bromide
InChI	InChI=1S/C17H30N.BrH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1
InChI Key	PNXWPUCNFMVBBK-UHFFFAOYSA-M
MDL Number	MFCD00031925
Molecular Formula	C17H30BrN
Molecular Weight	328.3308
SMILES	CCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]
Synonyms	chloride of Laurosept, dodecyl pyridinium chloride, dodecylpyridinium bromide, dodecylpyridinium chloride, iodide of Laurosept, Laurosept, laurylpyridinium bromide, laurylpyridinium iodide, N-dodecylpyridinium iodide, N-n-dodecylpyridinium iodide, NDDPI, sulfate of Laurosept, 104-73-4, 1-Dodecylpyridinium bromide, 1-dodecylpyridin-1-ium bromide, Dodecylpyridinium bromide, Laurosept, Pyridinium, 1-dodecyl-, bromide, dodecyl pyridinium bromide, AK115617, dodecylpyridine, bromide, Pyridinium, 1-dodecyl-, bromide (1:1), EINECS 203-231-7, Dodecylpyridiniumbromide, 5-Heptyldihydro-furanone, dodecylpyridinum bromide, lauryl pyridinium bromide, 1-dodecylpyridinuum bromide, AC1L26GB, AC1Q1R7C, C17H30BrN, SCHEMBL178235, CHEMBL3338621, CTK3J2957, PNXWPUCNFMVBBK-UHFFFAOYSA-M, EBD48909, KS-00000G3Z, MFCD00031925, SBB060435, AKOS015891722, MCULE-8950522656, RTX-011557, AS-12876, CC-27359, SC-65192, 4-n-heptyl-4-hydroxybutanoic acid lactone, AX8126810, DB-040560, FT-0631575, ST50547433, C-19931, I02-1890, 5-Heptyldihydro-furanone; gamma-Undecanolactone; 4-n-Heptyl-4-hydroxybutanoic acid lactone; Peach aldehyde, Peach aldehyde, gamma-Undecanolactone, C17H30N.Br, 1-Dodecylpyridin-1-iumbromide, C17-H30-N.Br, CID66917, AR-1C2783, 3133-50-4,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	327.156g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	328.338g/mol
Monoisotopic Mass	327.156g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	3.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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