5-(Dimethylamino)nicotinic Acid - CAS 30766-20-2

Catalog:	BB020720
Product Name:	5-(Dimethylamino)nicotinic Acid
CAS:	30766-20-2
Synonyms:	5-(dimethylamino)-3-pyridinecarboxylic acid; 5-(dimethylamino)pyridine-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-(dimethylamino)pyridine-3-carboxylic acid
Description:	5-(Dimethylamino)nicotinic Acid (CAS# 30766-20-2) is a useful research chemical.
Molecular Weight:	166.18
Molecular Formula:	C8H10N2O2
Canonical SMILES:	CN(C)C1=CN=CC(=C1)C(=O)O
InChI:	InChI=1S/C8H10N2O2/c1-10(2)7-3-6(8(11)12)4-9-5-7/h3-5H,1-2H3,(H,11,12)
InChI Key:	BZUPYORMYVQEMK-UHFFFAOYSA-N
Boiling Point:	355.9 °C at 760 mmHg
Density:	1.247 g/cm³
LogP:	0.84580

Publication Number	Title	Priority Date
US-8299267-B2	(3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating	20070924
CN-101198583-A	Compounds which inhibit beta-secretase activity and methods of use	20050408

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.074227566
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.074227566
Rotatable Bond Count:	2
Topological Polar Surface Area:	53.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5