| CAS Number | 885312-80-1 |
| Catalog Number | AG00IF5N(AGN-PC-0BIG4S) |
| Chemical Name | Ethyl 3-amino-4-(cyclopentylamino)benzoate |
| IUPAC Name | ethyl 3-amino-4-(cyclopentylamino)benzoate |
| InChI | InChI=1S/C14H20N2O2/c1-2-18-14(17)10-7-8-13(12(15)9-10)16-11-5-3-4-6-11/h7-9,11,16H,2-6,15H2,1H3 |
| InChI Key | FPJFIJRFOVRYNA-UHFFFAOYSA-N |
| MDL Number | MFCD13343642 |
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.3208 |
| SMILES | CCOC(=O)c1ccc(c(c1)N)NC1CCCC1 |
| Synonyms | Ethyl 3-amino-4-(cyclopentylamino)benzoate,
885312-80-1,
SCHEMBL15320802,
CTK6F6251,
ZINC41079817,
AKOS010567580,
AJ-103958,
TR-069783,
Benzoic acid, 3-amino-4-(cyclopentylamino)-, ethyl ester,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.326g/mol |
| Monoisotopic Mass | 248.152g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number