Basic information
- CAS
2377607-09-3- Standard SMILES
COC(=O)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1- InChIKey
IIGSNCMXRQFHAH-UHFFFAOYSA-N- Molecular formula
- C16H22BNO5
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 319.159103
Names & identifiers
- Preferred name
- Methyl 2-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamido}acetate
- IUPAC
- methyl 2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]acetate
- English name
- Methyl 2-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamido}acetate
- Molecular formula
- C16H22BNO5
- Molecular weight
- 319.16
Names & synonyms
2377607-09-3Methyl 2-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamido}acetateMethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamido)acetateMFCD28397293methyl 2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]acetateMETHYL 2-([4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]FORMAMIDO)ACETATEBS-33773CS-0177762F73154A1-24248Glycine, N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]-, methyl ester
Database identifiers
- CAS
2377607-09-3- PubChem CID
- 99973121
Properties
Computed structural properties
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- Boiling point
- 471 · 471.0±30.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 12.89 · 12.89±0.46(Predicted)
Chemistry & industry
Suppliers8 total
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]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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