AG00717W

204078-31-9 | 3-Morpholinobenzonitrile

AG00717W

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CAS Number	204078-31-9
Catalog Number	AG00717W(AGN-PC-0LWGIW)
Chemical Name	3-Morpholinobenzonitrile
IUPAC Name	3-morpholin-4-ylbenzonitrile
InChI	InChI=1S/C11H12N2O/c12-9-10-2-1-3-11(8-10)13-4-6-14-7-5-13/h1-3,8H,4-7H2
InChI Key	OQRDPCPTEDSJHU-UHFFFAOYSA-N
MDL Number	MFCD07368523
Molecular Formula	C11H12N2O
Molecular Weight	188.2258
SMILES	N#CC1=CC=CC(N2CCOCC2)=C1
Synonyms	3-Morpholinobenzonitrile, 3-morpholin-4-ylbenzonitrile, 204078-31-9, 3-(Morpholin-4-yl)benzonitrile, Benzonitrile, 3-(4-morpholinyl)-, AC1OEOY7, 4-(3-Cyanophenyl)morpholine, 3-Morpholin-4-yl-benzonitrile, SCHEMBL3783100, CTK4E4139, KS-00000NOL, DTXSID70427629, Benzonitrile,3-(4-morpholinyl)-, OQRDPCPTEDSJHU-UHFFFAOYSA-N, 3-morpholin-4-ylbenzenecarbonitrile, ZINC3880913, MFCD07368523, SBB090787, 3-(4-MORPHOLINYL)BENZONITRILE, AKOS005256814, EA-0800, MCULE-4779973865, RP03599, AJ-46595, AK143373, DB-010595, RT-008823, 4CH-004024, CS-0060408, FT-0764247, Y8171, K-5952, M67196, W-206513, Z2218555071, C11H12N2O, ZINC03880913, CID7060556,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.095g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.23g/mol
Monoisotopic Mass	188.095g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	36.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number