| CAS Number | 1251922-83-4 |
| Catalog Number | AG01A9ET |
| Chemical Name | 1-[(2-aminophenyl)methyl]pyrrolidine-2-carboxamide |
| IUPAC Name | 1-[(2-aminophenyl)methyl]pyrrolidine-2-carboxamide |
| InChI | InChI=1S/C12H17N3O/c13-10-5-2-1-4-9(10)8-15-7-3-6-11(15)12(14)16/h1-2,4-5,11H,3,6-8,13H2,(H2,14,16) |
| InChI Key | GVQDTMFDMGDPEH-UHFFFAOYSA-N |
| MDL Number | MFCD11173578 |
| Molecular Formula | C12H17N3O |
| Molecular Weight | 219.2829 |
| SMILES | NC(C1N(CC2=C(N)C=CC=C2)CCC1)=O |
| Synonyms | 1-[(2-aminophenyl)methyl]pyrrolidine-2-carboxamide,
1251922-83-4,
EN300-64904,
AC1Q4ZI1,
AKOS009243443,
MCULE-4994240165,
NE51030,
BC4168903,
Z234898237,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.288g/mol |
| Monoisotopic Mass | 219.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number