AG002OXY

2465-93-2 | Propanenitrile, 3,3',3''-[1,2,3-propanetriyltris(oxy)]tris-

AG002OXY

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CAS Number	2465-93-2
Catalog Number	AG002OXY(AGN-PC-0JLPG4)
Chemical Name	Propanenitrile, 3,3',3''-[1,2,3-propanetriyltris(oxy)]tris-
EC Number	219-573-5
IUPAC Name	3-[2,3-bis(2-cyanoethoxy)propoxy]propanenitrile
InChI	InChI=1S/C12H17N3O3/c13-4-1-7-16-10-12(18-9-3-6-15)11-17-8-2-5-14/h12H,1-3,7-11H2
InChI Key	ALGVJKNIAOBBBJ-UHFFFAOYSA-N
MDL Number	MFCD00019868
Molecular Formula	C12H17N3O3
Molecular Weight	251.2817
NSC Number	105812
SMILES	N#CCCOCC(OCCC#N)COCCC#N
UNII	CKN6B8UG9R
Synonyms	1,2,3-Tris(2-cyanoethoxy)propane, 2465-93-2, Propanenitrile, 3,3',3''-[1,2,3-propanetriyltris(oxy)]tris-, Glycerol Tris(2-cyanoethyl) Ether, UNII-CKN6B8UG9R, MFCD00019868, CKN6B8UG9R, 3,3',3''-Propane-1,2,3-triyltrioxytripropiononitrile, Tris(.beta.-cyanoethoxy)propane, ALGVJKNIAOBBBJ-UHFFFAOYSA-N, FR-0298, Propionitrile, 3,3',3''-(1,2,3-propanetriyltrioxy)tri-, 3-[2,3-Bis(2-cyanoethoxy)propoxy]propanenitrile, Propanenitrile,3,3',3''-[1,2,3-propanetriyltris(oxy)]tris-, Propanenitrile, 3,3',3''-(1,2,3-propanetriyltris(oxy))tris-, 3,3',3''-(propane-1,2,3-triyltris(oxy))tripropanenitrile, 3,3',3''-[propane-1,2,3-triyltris(oxy)]tripropanenitrile, Tris(beta-cyanoethoxy)propane, EINECS 219-573-5, NSC105812, 1,2,3-Tris(beta-cyanoethoxy)propane, NSC 105812, ACMC-1CINR, AI3-28873, AC1Q4SFE, AC1L2P1Y, AC1Q4SF2, NCIOpen2_007320, SCHEMBL2024883, DTXSID4062438, 1,3-Tris(2-cyanoethoxy)propane, CTK4F4131, ZINC1841205, ANW-25505, SBB007767, STL477737, 1,2,3-Tris(2'-cyanoethoxy)propane, 1,3-Tris(.beta.-cyanoethoxy)propane, AKOS015836383, 1,2,3-Tris-(2-cyanoethoxy)-propane, ACM2465932, MCULE-2204813168, NSC-105812, RTR-011359, 1,2,3-Tris(.beta.-cyanoethoxy)propane, CJ-29986, SC-48748, DB-046514, TR-011359, 1,2,3-Tris(2-cyanoethoxy)propane, Pract., FT-0606235, ST50307725, C-58169, 3,3',3''-(GLYCERYLTRIOXY)TRIPROPIONITRILE, 3-[2,3-Bis(2-cyanoethoxy)propoxy]propanenitrile #, J-015621, I14-18641, Propionitrile,3',3''-(1,2,3-propanetriyltrioxy)tri-, 1,2,3-Tris(2-cyanoethoxy)propane [liquid phase for GC], 3-{[1,3-bis(2-cyanoethoxy)propan-2-yl]oxy}propanenitrile, Propanenitrile,3',3''-[1,2,3-propanetriyltris(oxy)]tris-, 1,2,3-TRIS PROPANE, C12H17N3O3, KST-1B2286, CID75572, AR-1B5305, C12-H17-N3-O3, T0525, 25329-64-0,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.127g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.286g/mol
Monoisotopic Mass	251.127g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	99.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319
Packing Group	Ⅱ
Precautionary statements	P264-P270-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501
UN Code	UN 2811

Certificate of Analysis

Lot Number