Methyl 3-(Aminomethyl)benzoate - CAS 93071-65-9
Catalog: |
BB040762 |
Product Name: |
Methyl 3-(Aminomethyl)benzoate |
CAS: |
93071-65-9 |
Synonyms: |
3-(aminomethyl)benzoic acid methyl ester; methyl 3-(aminomethyl)benzoate |
IUPAC Name: | methyl 3-(aminomethyl)benzoate |
Description: | Methyl 3-(Aminomethyl)benzoate (CAS# 93071-65-9) is a useful research chemical. |
Molecular Weight: | 165.19 |
Molecular Formula: | C9H11NO2 |
Canonical SMILES: | COC(=O)C1=CC(=CC=C1)CN |
InChI: | InChI=1S/C9H11NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,6,10H2,1H3 |
InChI Key: | OWBKDJSKHXGOJY-UHFFFAOYSA-N |
Boiling Point: | 280 ℃ |
Density: | 1.121 g/cm3 |
Appearance: | Colorless to pale yellow liquid |
LogP: | 1.63220 |
Publication Number | Title | Priority Date |
CN-113292510-A | Benzisothiazole compound for inhibiting hypoxia inducible factor 2 activity, preparation method and application thereof | 20210607 |
CN-111763201-A | Benzothiazole compound and medical application thereof | 20200303 |
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WO-2021175234-A1 | Benzothiazole compound and medical use | 20200303 |
CN-112390814-A | EP4 receptor antagonists in combination with PD-1 inhibitors for the treatment of cancer | 20190815 |
Complexity: | 159 |
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: | 3 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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