AG003P8Q

83777-30-4 | Sodium 3-((3,5-dimethoxyphenyl)(ethyl)amino)-2-hydroxypropane-1-sulfonate

AG003P8Q

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CAS Number	83777-30-4
Catalog Number	AG003P8Q(AGN-PC-0UPFW6)
Chemical Name	Sodium 3-((3,5-dimethoxyphenyl)(ethyl)amino)-2-hydroxypropane-1-sulfonate
IUPAC Name	sodium;3-(N-ethyl-3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonate
InChI	InChI=1S/C13H21NO6S.Na/c1-4-14(8-11(15)9-21(16,17)18)10-5-12(19-2)7-13(6-10)20-3;/h5-7,11,15H,4,8-9H2,1-3H3,(H,16,17,18);/q;+1/p-1
InChI Key	HDARHUHTZKLJET-UHFFFAOYSA-M
MDL Number	MFCD09832859
Molecular Formula	C13H20NNaO6S
Molecular Weight	341.3558
SMILES	O=S(CC(O)CN(C1=CC(OC)=CC(OC)=C1)CC)([O-])=O.[Na+]
Synonyms	2-DAOS, N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline, 83777-30-4, DAOS, Sodium 3-((3,5-dimethoxyphenyl)(ethyl)amino)-2-hydroxypropane-1-sulfonate, sodium 3-[(3,5-dimethoxyphenyl)(ethyl)amino]-2-hydroxypropane-1-sulfonate, N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt, AK-77413, N-ethyl-N-(2-hydroxy-3-sulfopropyl)-*3,5-dimethox, W-203897, 2-Daos, daos sodium salt, DAOS (N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline, sodium salt), AC1Q1VI8, C13H20NO6SNa, 3-((3,5-Dimethoxyphenyl)ethylamino)-2-hydroxy-1-propanesulfonic acid monosodium salt, SCHEMBL2812724, AKOS016000193, CS-3031, VZ33269, KS-000018Q1, AC-24643, HY-15913, SY130758, AX8002934, V1283, MFCD09832859 (95%), A840648, n-ethyl-n-(2-hydroxy-3-sulfopropyl)-*3,5 -dimethoxya, daos (n-ethyl-n-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline,, n-ethyl-n-(2-hydrroxt-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt, sodium 3-(N-ethyl-3,5-dimethoxyanilino)-2-hydroxy-1-propanesulfonate, 1-Propanesulfonic acid, 3-((3,5-dimethoxyphenyl)ethylamino)-2-hydroxy-, monosodium salt, sodium 3-[(3,5-dimethoxyphenyl)-ethyl-amino]-2-oxidanyl-propane-1-sulfonate, C13H21NO6S.Na, C13-H21-N-O6-S.Na, AR-1L4692, CID134345, N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline, 89372-85-0,

Complexity	390
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	341.091g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	341.354g/mol
Monoisotopic Mass	341.091g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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