AG000XA2

127680-91-5 | 4-Pyridinecarbonitrile, 2-(4-morpholinyl)-

AG000XA2

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CAS Number	127680-91-5
Catalog Number	AG000XA2(AGN-PC-0022DS)
Chemical Name	4-Pyridinecarbonitrile, 2-(4-morpholinyl)-
IUPAC Name	2-morpholin-4-ylpyridine-4-carbonitrile
InChI	InChI=1S/C10H11N3O/c11-8-9-1-2-12-10(7-9)13-3-5-14-6-4-13/h1-2,7H,3-6H2
InChI Key	ZKBSABVDSSVALF-UHFFFAOYSA-N
MDL Number	MFCD09934756
Molecular Formula	C10H11N3O
Molecular Weight	189.2138
SMILES	N#CC1=CC=NC(N2CCOCC2)=C1
Synonyms	2-morpholinoisonicotinonitrile, 127680-91-5, 2-morpholin-4-ylisonicotinonitrile, 2-MORPHOLIN-4-YL-ISONICOTINONITRILE, 2-(Morpholin-4-yl)pyridine-4-carbonitrile, AC1Q4R2H, 2-Morpholinylisonicotinonitrile, SCHEMBL1715860, CTK7C8961, DTXSID00562496, ZKBSABVDSSVALF-UHFFFAOYSA-N, 2-(4-morpholinyl)-4-cyanopyridine, MFCD09934756, ZINC19441526, AKOS000178681, MCULE-7919568236, RL01372, 2-morpholin-4-ylpyridine-4-carbonitrile, 2-(4-morpholinyl)-4-pyridinecarbonitrile, AJ-73574, AS-31383, CJ-16155, AB0004358, RT-007936, 4-Pyridinecarbonitrile, 2-(4-morpholinyl)-, Z9369, EN300-31475, A-2238, A805735, J-510118, Z234969377, C10H11N3O, 2-Chloro-N-[2-chloro-5-(morpholine-4-sulfonyl)-phenyl]-acetamide,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.09g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.218g/mol
Monoisotopic Mass	189.09g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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