Methyl 5-(Dimethylamino)nicotinate - CAS 29898-23-5

Catalog:	BB020370
Product Name:	Methyl 5-(Dimethylamino)nicotinate
CAS:	29898-23-5
Synonyms:	5-(dimethylamino)-3-pyridinecarboxylic acid methyl ester; methyl 5-(dimethylamino)pyridine-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-(dimethylamino)pyridine-3-carboxylate
Description:	Methyl 5-(Dimethylamino)nicotinate (CAS# 29898-23-5) is a useful research chemical.
Molecular Weight:	180.20
Molecular Formula:	C9H12N2O2
Canonical SMILES:	CN(C)C1=CN=CC(=C1)C(=O)OC
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
Boiling Point:	290.852 °C at 760 mmHg
Density:	1.137 g/cm³
LogP:	0.93420

Publication Number	Title	Priority Date
CA-2938198-A1	Heterocyclic sulfonamide derivative and medicine comprising same	20140128
EP-3101015-A1	Heterocyclic sulfonamide derivative and medicine comprising same	20140128
EP-3101015-B1	Heterocyclic sulfonamide derivative and medicine comprising same	20140128
ES-2759310-T3	Derivative of heterocyclic sulfonamide and medicine comprising it	20140128
JP-6473420-B2	Heterocyclic sulfonamide derivative and medicament containing the same	20140128

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
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[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.08987763
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	180.08987763
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8