Basic information
- CAS
69582-93-0- Standard SMILES
COC(=O)Cc1nccc2ccccc12- InChIKey
OGVLKYKVZIKHLK-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- Methyl 2-(isoquinolin-1-YL)acetate
- IUPAC
- methyl 2-isoquinolin-1-ylacetate
- English name
- 1-Isoquinolineacetic acid methyl ester
- Molecular formula
- C12H11NO2
- Molecular weight
- 201.22
Names & synonyms
METHYL 2-(ISOQUINOLIN-1-YL)ACETATE69582-93-0DTXSID30275441RefChem:353954DTXCID002268841-Isoquinolineacetic acid methyl esterMethyl 2-isoquinolin-1-ylacetateMFCD13194757methyl 1-isoquinolylacetatemethyl 2-(1-isoquinolyl)acetatemethoxycarbonylmethylisoquinolineSCHEMBL19586249
Show more names
Methyl (isoquinolin-1-yl)acetateAKOS015851523BS-50622SY242545METHYL2-(ISOQUINOLIN-1-YL)ACETATEDB-000602CS-0150703F303960
Database identifiers
- CAS
69582-93-0- PubChem CID
- 41645
- DTXSID
DTXSID30275441- Nikkaji
- J1.383.762G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 47 · 47-48 ºC
- Boiling point
- 328 · 328.0±17.0 °C(Predicted)
- Density
- 1.186 · 1.186
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 4.68 · 4.68±0.30(Predicted)
- Appearance
- Light yellow to yellow Solid
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers21 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海摩纹医药科技有限公司13681854265 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
江苏阿贝力科技有限公司18901580598 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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