1-(4-(3-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl)piperidine-3-carboxylic acid - CAS 870980-07-7
Catalog: |
BB048265 |
Product Name: |
1-(4-(3-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl)piperidine-3-carboxylic acid |
CAS: |
870980-07-7 |
Synonyms: |
1-[4-(3-Methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinecarboxylic acid; 3-Piperidinecarboxylic acid, 1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]- |
IUPAC Name: | 1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid |
Description: | 1-(4-(3-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl)piperidine-3-carboxylic acid (CAS# 870980-07-7 ) is a useful research chemical. |
Molecular Weight: | 381.35 |
Molecular Formula: | C18H18F3N3O3 |
Canonical SMILES: | COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCCC(C3)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C18H18F3N3O3/c1-27-13-6-2-4-11(8-13)14-9-15(18(19,20)21)23-17(22-14)24-7-3-5-12(10-24)16(25)26/h2,4,6,8-9,12H,3,5,7,10H2,1H3,(H,25,26) |
InChI Key: | PNUXAUKXEVPEBB-UHFFFAOYSA-N |
Boiling Point: | 557.7±60.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Appearance: | Powder |
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 |
Complexity: | 520 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 381.13002593 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 381.13002593 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 75.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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