AG003RJX

80845-58-5 | Methyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate

AG003RJX

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CAS Number	80845-58-5
Catalog Number	AG003RJX(AGN-PC-03F9II)
Chemical Name	Methyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate
IUPAC Name	methyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
InChI	InChI=1S/C14H17NO2/c1-17-14(16)13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-7H,8-11H2,1H3
InChI Key	YZWZFDZCHPQVMK-UHFFFAOYSA-N
MDL Number	MFCD18651701
Molecular Formula	C14H17NO2
Molecular Weight	231.2903
SMILES	O=C(C1=CCN(CC2=CC=CC=C2)CC1)OC
Synonyms	Methyl 1-Benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate, 80845-58-5, AK-83229, SCHEMBL3079800, CTK8E1860, KS-00000AII, YZWZFDZCHPQVMK-UHFFFAOYSA-N, 6885AJ, KM2046, MFCD18651701, ZINC90513128, AKOS015902844, FCH2728570, TRA0094533, CJ-22587, DS-17096, SY012799, AJ-128846, DB-075707, ST2407084, TC-308386, 4CH-018826, FT-0709172, MFCD18651701 (97+%), I14-20221, methyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate, methyl 1-benzyl-1,2,3,6-tetrahydro -4-pyridinecarboxylate, methyl 1-benzyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate, Methyl1-Benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate, C14H17NO2, 486-73-7,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.126g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.295g/mol
Monoisotopic Mass	231.126g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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