| CAS Number | 1184785-26-9 |
| Catalog Number | AG01A998 |
| Chemical Name | 3-amino-N-[3-(pyrrolidin-1-yl)phenyl]butanamide |
| IUPAC Name | 3-amino-N-(3-pyrrolidin-1-ylphenyl)butanamide |
| InChI | InChI=1S/C14H21N3O/c1-11(15)9-14(18)16-12-5-4-6-13(10-12)17-7-2-3-8-17/h4-6,10-11H,2-3,7-9,15H2,1H3,(H,16,18) |
| InChI Key | UJFLLHGLGKOYLB-UHFFFAOYSA-N |
| MDL Number | MFCD12878384 |
| Molecular Formula | C14H21N3O |
| Molecular Weight | 247.3360 |
| SMILES | CC(CC(NC1=CC(N2CCCC2)=CC=C1)=O)N |
| Synonyms | 3-amino-N-[3-(pyrrolidin-1-yl)phenyl]butanamide,
1184785-26-9,
AC1Q2BAM,
AKOS010151769,
MCULE-6921289507,
NE21431,
EN300-64503,
Z234897239,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.342g/mol |
| Monoisotopic Mass | 247.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number