| CAS Number | 135569-20-9 |
| Catalog Number | AG01EJGU(AGN-PC-003OZZ) |
| Chemical Name | Methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate |
| IUPAC Name | methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate |
| InChI | InChI=1S/C13H17NO2/c1-16-12(15)13(8-2-3-9-13)10-4-6-11(14)7-5-10/h4-7H,2-3,8-9,14H2,1H3 |
| InChI Key | YRAFDBGZZIBBLS-UHFFFAOYSA-N |
| MDL Number | MFCD19443256 |
| Molecular Formula | C13H17NO2 |
| Molecular Weight | 219.2796 |
| SMILES | COC(C1(C2=CC=C(N)C=C2)CCCC1)=O |
| Synonyms | 135569-20-9,
Methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate,
SCHEMBL2268465,
1-(4-aminophenyl)cyclopentanecarboxylic acid methyl ester,
YRAFDBGZZIBBLS-UHFFFAOYSA-N,
1-(4-amino-phenyl)-cyclopentanecarboxylic acid methyl ester,
1-(4-amino-phenyl)cyclopentanecarboxylic acid methyl ester,
1-(4-amino-phenyl)-cyclopentane carboxylic acid methyl ester,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.284g/mol |
| Monoisotopic Mass | 219.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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