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 |
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 |
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 |
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 |
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 |
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