AG00EFV6

57741-46-5 | 4,7,10,13-tetraoxahexadecanedinitrile

AG00EFV6

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CAS Number	57741-46-5
Catalog Number	AG00EFV6(AGN-PC-0JM0CH)
Chemical Name	4,7,10,13-tetraoxahexadecanedinitrile
EC Number	260-924-7
IUPAC Name	3-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]propanenitrile
InChI	InChI=1S/C12H20N2O4/c13-3-1-5-15-7-9-17-11-12-18-10-8-16-6-2-4-14/h1-2,5-12H2
InChI Key	KCHBZKXCYRHBDY-UHFFFAOYSA-N
MDL Number	MFCD00483880
Molecular Formula	C12H20N2O4
Molecular Weight	256.2982
SMILES	N#CCCOCCOCCOCCOCCC#N
Synonyms	4,7,10,13-tetraoxahexadecane-1,16-dinitrile, 57741-46-5, 4,7,10,13-Tetraoxahexadecanedinitrile, AK141835, EINECS 260-924-7, AC1Q4SGK, AC1L3QW2, SCHEMBL15412364, CTK1H2864, DTXSID60206440, ZINC5113658, MFCD00483880, AKOS022173464, DS-7336, 4,7,10,13-tetraoxa-hexadecanedinitrile, AJ-53121, AX8281970, ST24042659, 3-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]propanenitrile, Propanenitrile, 3,3'-(1,2-ethanediylbis(oxy-2,1-ethanediyloxy))bis-, CID93786, AR-1F8770, C12-H20-N2-O4, 5948-30-1,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.142g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	256.302g/mol
Monoisotopic Mass	256.142g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	84.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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