AG00ELHL

573987-48-1 | 1-(cyanoMethyl)pyrrolidiniuM trifluoroMethanesulfonate

AG00ELHL

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CAS Number	573987-48-1
Catalog Number	AG00ELHL(AGN-PC-0JEP46)
Chemical Name	1-(cyanoMethyl)pyrrolidiniuM trifluoroMethanesulfonate
IUPAC Name	2-pyrrolidin-1-ium-1-ylacetonitrile;trifluoromethanesulfonate
InChI	InChI=1S/C6H10N2.CHF3O3S/c7-3-6-8-4-1-2-5-8;2-1(3,4)8(5,6)7/h1-2,4-6H2;(H,5,6,7)
InChI Key	ONSASHBHHZNQQZ-UHFFFAOYSA-N
MDL Number	MFCD23726589
Molecular Formula	C7H11F3N2O3S
Molecular Weight	260.2340
SMILES	N#CC[NH+]1CCCC1.O=S(C(F)(F)F)([O-])=O
Synonyms	1-(cyanomethyl)pyrrolidin-1-ium trifluoromethanesulfonate, 573987-48-1, 1-(cyanomethyl)pyrrolidinium trifluoromethanesulfonate, SCHEMBL2404969, KS-00000SIH, MFCD23726589, n-(cyanomethyl)pyrrolidinium triflate, AKOS024464419, AM806630, ACN-052343, AK159463, 1-(cyanomethyl)pyrrolidiniumtrifluoromethanesulfonate,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	260.044g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	260.231g/mol
Monoisotopic Mass	260.044g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	93.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

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