2,4,6-Trimethylbenzoic acid - CAS 480-63-7
Catalog: |
BB026486 |
Product Name: |
2,4,6-Trimethylbenzoic acid |
CAS: |
480-63-7 |
Synonyms: |
2,4,6-trimethylbenzoic acid |
IUPAC Name: | 2,4,6-trimethylbenzoic acid |
Description: | 2,4,6-Trimethylbenzoic acid (CAS# 480-63-7) is a selective and potent SR-6 and 5-HT6R antagonist. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CC1=CC(=C(C(=C1)C)C(=O)O)C |
InChI: | InChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12) |
InChI Key: | FFFIRKXTFQCCKJ-UHFFFAOYSA-N |
Boiling Point: | 296.6 ℃ at 760 mmHg |
Melting Point: | 153-155 ℃ |
Density: | 1.088 g/cm3 |
Appearance: | White to almost white crystalline powder |
Storage: | Keep away from sources of ignition. Store in a cool, dry place. Do not store in direct sunlight. Store in a tightly closed container. Keep under a nitrogen blanket. Flammables-area. |
MDL: | MFCD00002481 |
LogP: | 2.31000 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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