| CAS Number | 20650-07-1 |
| Catalog Number | AG00BIC6(AGN-PC-0JSOZF) |
| Chemical Name | (3-methoxypropyl)dimethylamine |
| IUPAC Name | ethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate |
| InChI | InChI=1S/C13H14FNO3/c1-2-18-12(17)13(7-8-13)11(16)15-10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3,(H,15,16) |
| InChI Key | FJMLTTAPGNFDSI-UHFFFAOYSA-N |
| MDL Number | MFCD20275396 |
| Molecular Formula | C6H15NO |
| Molecular Weight | 117.1894 |
| SMILES | O(C)CCCN(C)C |
| Synonyms | 20650-07-1,
Ethyl 1-((4-fluorophenyl)carbamoyl)cyclopropanecarboxylate,
ethyl 1-(4-fluorophenylcarbamoyl)cyclopropanecarboxylate,
SCHEMBL374160,
DTXSID10718987,
FJMLTTAPGNFDSI-UHFFFAOYSA-N,
ZINC72190462,
AKOS022172719,
ACN-000344,
AJ-119206,
ethyl 1-((4-fluorophenyl)carbamoyl)cyclopropane-carboxylate,
ethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate,
ethyl1-(4-fluorophenylcarbamoyl)cyclopropanecarboxylate,
1245931-90-1,
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| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.257g/mol |
| Monoisotopic Mass | 251.096g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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