AG006V8D

51583-69-8 | 3-(2-Methylquinolin-1-ium-1-yl)propane-1-sulfonate

AG006V8D

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CAS Number	51583-69-8
Catalog Number	AG006V8D(AGN-PC-0JLE0J)
Chemical Name	3-(2-Methylquinolin-1-ium-1-yl)propane-1-sulfonate
EC Number	257-298-2
IUPAC Name	3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonate
InChI	InChI=1S/C13H15NO3S/c1-11-7-8-12-5-2-3-6-13(12)14(11)9-4-10-18(15,16)17/h2-3,5-8H,4,9-10H2,1H3
InChI Key	XOQBXKBUTMRNQS-UHFFFAOYSA-N
MDL Number	MFCD00182042
Molecular Formula	C13H15NO3S
Molecular Weight	265.3281
SMILES	O=S(CCC[N+]1=C2C=CC=CC2=CC=C1C)([O-])=O
Synonyms	51583-69-8, 2-Methyl-1-(3-sulphonatopropyl)quinolinium, 3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonate, 2-Methyl-1-(3-sulfopropyl)quinolinium hydroxide, inner salt, 3-(2-methylquinolinium-1-yl)propane-1-sulfonate, Quinolinium, 2-methyl-1-(3-sulfopropyl)-, inner salt, 2-Methyl-1-(3-sulfopropyl)-quinolinium inner salt, MLS000558712, EINECS 257-298-2, AC1L2VR2, AC1Q22OY, KSC497A5D, 2-Methyl-1-(3-sulfopropyl), SCHEMBL7256433, CHEMBL1360699, DTXSID0068650, CTK3J7051, 2-Methyl-1-(3-sulfopropyl)quinolinium, hydroxide, inner salt, HMS2316A10, KS-00000N4S, ANW-47173, MFCD00182042, AKOS000507442, MCULE-4598968277, ACM51583698, 3-(2-methylquinolyl)propanesulfonic acid, NCGC00245480-01, AK-45770, AN-41261, BAS 00471037, BR-45770, CJ-07290, DS-13649, SMR000175125, AX8076608, RT-003471, ST2417347, FT-0652283, ST50231001, W6645, 2-methyl-1-(3-sulfonatopropyl)quinolin-1-ium, S-7389, A829225, S08-0116, 3-(2-methyl-1-quinolin-1-iumyl)-1-propanesulfonate, -quinolinium inner salt, 2-Methyl-1- quinolinium, C13H15NO3S, C13-H15-N-O3-S, AR-1E6380, CID103914, ACN-050120, 2-Methyl-1-(3-sulphotopropyl)quinolinium, Quinolinium, 2-methyl-1-(3-sulfopropyl)-, hydroxide, inner salt, 527-21-9,

Complexity	350
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.077g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	265.327g/mol
Monoisotopic Mass	265.077g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	69.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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