Methyl 4'-Aminobiphenyl-4-carboxylate - CAS 5730-76-7
Catalog: |
BB029637 |
Product Name: |
Methyl 4'-Aminobiphenyl-4-carboxylate |
CAS: |
5730-76-7 |
Synonyms: |
4-(4-aminophenyl)benzoic acid methyl ester; methyl 4-(4-aminophenyl)benzoate |
IUPAC Name: | methyl 4-(4-aminophenyl)benzoate |
Description: | Methyl 4'-Aminobiphenyl-4-carboxylate (CAS# 5730-76-7) is a useful research chemical. |
Molecular Weight: | 227.26 |
Molecular Formula: | C14H13NO2 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)N |
InChI: | InChI=1S/C14H13NO2/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9H,15H2,1H3 |
InChI Key: | KKPVZEJEFMQVSQ-UHFFFAOYSA-N |
Boiling Point: | 382.5 °C at 760 mmHg |
Density: | 1.166 g/cm3 |
MDL: | MFCD02628073 |
LogP: | 3.30360 |
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 |
WO-2019213570-A1 | Cancer treatments targeting cancer stem cells | 20180504 |
CN-112312899-A | Cancer therapy targeting cancer stem cells | 20180504 |
EP-3787612-A1 | Cancer treatments targeting cancer stem cells | 20180504 |
KR-20210015833-A | Cancer treatment targeting cancer stem cells | 20180504 |
US-2017088532-A1 | Inhibitors of lpxc | 20131205 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.094628657 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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Amines and Anilines
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