5-(Methylamino)nicotinic Acid - CAS 91702-88-4
Catalog: |
BB040325 |
Product Name: |
5-(Methylamino)nicotinic Acid |
CAS: |
91702-88-4 |
Synonyms: |
5-(methylamino)-3-pyridinecarboxylic acid; 5-(methylamino)pyridine-3-carboxylic acid |
IUPAC Name: | 5-(methylamino)pyridine-3-carboxylic acid |
Description: | 5-(Methylamino)nicotinic Acid (CAS# 91702-88-4) is a useful research chemical. |
Molecular Weight: | 152.15 |
Molecular Formula: | C7H8N2O2 |
Canonical SMILES: | CNC1=CN=CC(=C1)C(=O)O |
InChI: | InChI=1S/C7H8N2O2/c1-8-6-2-5(7(10)11)3-9-4-6/h2-4,8H,1H3,(H,10,11) |
InChI Key: | XZSWHQCDTYJZJA-UHFFFAOYSA-N |
Boiling Point: | 378 °C at 760 mmHg |
Density: | 1.327 g/cm3 |
LogP: | 0.89450 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3042900-A1 | Novel morpholine derivative or salt thereof | 20130829 |
JP-6074043-B2 | Novel morpholine derivative or salt thereof | 20130829 |
JP-WO2015030057-A1 | Novel morpholine derivative or salt thereof | 20130829 |
US-2016168139-A1 | Novel morpholine derivative or salt thereof | 20130829 |
US-9586951-B2 | Morpholine derivative or salt thereof | 20130829 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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