| CAS Number | 918813-18-0 |
| Catalog Number | AG019W83(AGN-PC-06GD1O) |
| Chemical Name | N-[3-(aminomethyl)phenyl]pyrrolidine-1-carboxamide |
| IUPAC Name | N-[3-(aminomethyl)phenyl]pyrrolidine-1-carboxamide |
| InChI | InChI=1S/C12H17N3O/c13-9-10-4-3-5-11(8-10)14-12(16)15-6-1-2-7-15/h3-5,8H,1-2,6-7,9,13H2,(H,14,16) |
| InChI Key | AZAUJSBIJWEGND-UHFFFAOYSA-N |
| MDL Number | MFCD11132919 |
| Molecular Formula | C12H17N3O |
| Molecular Weight | 219.2829 |
| SMILES | NCC1=CC(NC(N2CCCC2)=O)=CC=C1 |
| Synonyms | 918813-18-0,
N-[3-(aminomethyl)phenyl]pyrrolidine-1-carboxamide,
N-(3-(Aminomethyl)phenyl)pyrrolidine-1-carboxamide,
1-Pyrrolidinecarboxamide, N-[3-(aminomethyl)phenyl]-,
AC1Q53W2,
SCHEMBL4999588,
CTK3H5780,
DTXSID50655468,
AZAUJSBIJWEGND-UHFFFAOYSA-N,
ZINC36379701,
AKOS009289584,
MCULE-7655667096,
NE14962,
EN300-51001,
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| Complexity | 238 |
| 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 | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.288g/mol |
| Monoisotopic Mass | 219.137g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number