2,4-Dimethylnicotinic Acid - CAS 55314-30-2
Catalog: |
BB028998 |
Product Name: |
2,4-Dimethylnicotinic Acid |
CAS: |
55314-30-2 |
Synonyms: |
2,4-dimethyl-3-pyridinecarboxylic acid; 2,4-dimethylpyridine-3-carboxylic acid |
IUPAC Name: | 2,4-dimethylpyridine-3-carboxylic acid |
Description: | 2,4-Dimethylnicotinic Acid (CAS# 55314-30-2) is a useful research chemical. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | CC1=C(C(=NC=C1)C)C(=O)O |
InChI: | InChI=1S/C8H9NO2/c1-5-3-4-9-6(2)7(5)8(10)11/h3-4H,1-2H3,(H,10,11) |
InChI Key: | XSZKVKMGSAAAJZ-UHFFFAOYSA-N |
Boiling Point: | 295.9 °C at 760 mmHg |
Density: | 1.183 g/cm3 |
LogP: | 1.39660 |
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-2020109141-A1 | Amino acid compounds and methods of use | 20181008 |
WO-2020076862-A1 | Amino acid compounds and methods of use | 20181008 |
TW-202028179-A | Amino acid compounds and methods of use | 20181008 |
CN-113195053-A | Amino acid compounds and methods of use | 20181008 |
EP-3863711-A1 | Amino acid compounds and methods of use | 20181008 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.063328530 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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