3-(3-Methylphenyl)propionic acid - CAS 3751-48-2
Catalog: |
BB023314 |
Product Name: |
3-(3-Methylphenyl)propionic acid |
CAS: |
3751-48-2 |
Synonyms: |
3-m-tolylpropionic acid; Propionic acid, 3-[3-methylphenyl]-; Cinacalcet Impurity 34 |
IUPAC Name: | 3-(3-methylphenyl)propanoic acid |
Description: | 3-(3-Methylphenyl)propionic acid, is an impurity of Cinacalcet, which is a drug that acts as a calcimimetic, and is used to treat secondary hyperparathyroidism (elevated parathyroid hormone levels). |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CC1=CC(=CC=C1)CCC(=O)O |
InChI: | InChI=1S/C10H12O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12) |
InChI Key: | VWXVTHDQAOAENP-UHFFFAOYSA-N |
Boiling Point: | 290°C at 760mmHg |
Melting Point: | 39-42°C (lit.) |
Density: | 1.097 g/cm3 |
Appearance: | Off-white to Pale Yellow Solid |
LogP: | 2.01220 |
GHS Hazard Statement: | H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112679336-A | Method for synthesizing phenylpropionic acid compound under catalysis of heterogeneous palladium metal | 20201229 |
WO-2021202775-A1 | N-(heterocyclyl and heterocyclylalkyl)-3-benzylpyridin-2-amine derivatives as sstr4 agonists | 20200331 |
CN-111217694-A | method for selectively reducing carbon-carbon double bond in α, beta-unsaturated carbonyl compound | 20200212 |
WO-2021123848-A1 | Process for the preparation of a chiral prostaglandin enol intermediate and intermediate compounds useful in the process | 20191218 |
CN-111777477-A | Method for synthesizing succinic acid derivative or 3-aryl propionic acid | 20191025 |
Complexity: | 154 |
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: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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