| CAS Number | 702638-74-2 |
| Catalog Number | AG00FXJ5(AGN-PC-05IKJ5) |
| Chemical Name | N-(3-aminophenyl)pyrrolidine-1-carboxamide |
| IUPAC Name | N-(3-aminophenyl)pyrrolidine-1-carboxamide |
| InChI | InChI=1S/C11H15N3O/c12-9-4-3-5-10(8-9)13-11(15)14-6-1-2-7-14/h3-5,8H,1-2,6-7,12H2,(H,13,15) |
| InChI Key | ZXTAQMNPVKRVFU-UHFFFAOYSA-N |
| MDL Number | MFCD11125780 |
| Molecular Formula | C11H15N3O |
| Molecular Weight | 205.2563 |
| SMILES | NC1=CC(NC(N2CCCC2)=O)=CC=C1 |
| Synonyms | 702638-74-2,
1-Pyrrolidinecarboxamide, N-(3-aminophenyl)-,
N-(3-aminophenyl)-1-pyrrolidinecarboxamide,
n-(3-aminophenyl)pyrrolidine-1-carboxamide,
I14-9746,
SCHEMBL432419,
ZXTAQMNPVKRVFU-UHFFFAOYSA-N,
ZINC21819750,
AKOS009224197,
MCULE-7098281969,
DA-41651,
NS-02184,
FT-0745086,
Pyrrolidine-1-carboxylic acid (3-amino-phenyl)-amide,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.261g/mol |
| Monoisotopic Mass | 205.122g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number