Methyl 3-amino-4-methylbenzoate - CAS 18595-18-1
Catalog: |
BB014261 |
Product Name: |
Methyl 3-amino-4-methylbenzoate |
CAS: |
18595-18-1 |
Synonyms: |
methyl 3-amino-4-methylbenzoate |
IUPAC Name: | methyl 3-amino-4-methylbenzoate |
Description: | Methyl 3-amino-4-methylbenzoate (CAS# 18595-18-1) is used as a reagent in the synthesis of perfluoroalkylated indoles which are very useful in drug development. It was also used in the preparation of 4-(pyrimidin-2-ylamino) benzamide derivatives which are designed as inhibitors of hedgehog signalling pathway (target of cancer treatment). |
Molecular Weight: | 165.19 |
Molecular Formula: | C9H11NO2 |
Canonical SMILES: | CC1=C(C=C(C=C1)C(=O)OC)N |
InChI: | InChI=1S/C9H11NO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,10H2,1-2H3 |
InChI Key: | YEPWCJHMSVABPQ-UHFFFAOYSA-N |
Boiling Point: | 296.3 ℃ at 760 mmHg |
Density: | 1.132 g/cm3 |
MDL: | MFCD00025206 |
LogP: | 1.94500 |
GHS Hazard Statement: | H315 (97.73%): 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 |
CN-113419004-A | Method for detecting impurities in methyl 3-amino-4-methylbenzoate | 20210622 |
CN-112724052-B | GPR101 protein receptor inhibitor and preparation and application thereof | 20210121 |
WO-2021127283-A2 | Irak degraders and uses thereof | 20191217 |
WO-2021117846-A1 | Compound serving as pdgf receptor kinase inhibitor, and composition | 20191213 |
CN-113031396-A | Colored curable resin composition, color filter, and display device | 20191209 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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