AG003RWP

29898-23-5 | Methyl 5-(dimethylamino)nicotinate

AG003RWP

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CAS Number	29898-23-5
Catalog Number	AG003RWP(AGN-PC-041ATP)
Chemical Name	Methyl 5-(dimethylamino)nicotinate
IUPAC Name	methyl 5-(dimethylamino)pyridine-3-carboxylate
InChI	InChI=1S/C9H12N2O2/c1-11(2)8-4-7(5-10-6-8)9(12)13-3/h4-6H,1-3H3
InChI Key	UZBCZKOYJMGKCW-UHFFFAOYSA-N
MDL Number	MFCD12198848
Molecular Formula	C9H12N2O2
Molecular Weight	180.2038
SMILES	COC(=O)C1=CN=CC(=C1)N(C)C
Synonyms	METHYL 5-(DIMETHYLAMINO)NICOTINATE, 29898-23-5, METHYL 5-(DIMETHYLAMINO)PYRIDINE-3-CARBOXYLATE, 3-Pyridinecarboxylic acid, 5-(dimethylamino)-, methyl ester, SCHEMBL3509627, CTK4G4016, DTXSID20632084, UZBCZKOYJMGKCW-UHFFFAOYSA-N, MFCD12198848, ZINC38575739, AKOS015892033, FCH1144703, RTR-008899, TRA0038195, ACM29898235, AC-22846, AJ-96603, AK-82434, AS-31568, CJ-19554, SC-27457, SY005318, 5-Dimethylamino-nicotinic acid methyl ester, AB1000429, AX8174151, FT-0687556, V4997, A24660, K-7207, MFCD12198848 (97+%), I02-3012, null, C9H12N2O2, 19172-47-5,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.09g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.207g/mol
Monoisotopic Mass	180.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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