| CAS Number | 1423037-21-1 |
| Catalog Number | AG009WR1(AGN-PC-0WAEAB) |
| Chemical Name | N-(4-Pyrrolidinobenzyl) 4-pyrrolidinobenzamide |
| IUPAC Name | 4-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide |
| InChI | InChI=1S/C22H27N3O/c26-22(19-7-11-21(12-8-19)25-15-3-4-16-25)23-17-18-5-9-20(10-6-18)24-13-1-2-14-24/h5-12H,1-4,13-17H2,(H,23,26) |
| InChI Key | PSTGXCRSZWLFEE-UHFFFAOYSA-N |
| MDL Number | MFCD23135935 |
| Molecular Formula | C22H27N3O |
| Molecular Weight | 349.4693 |
| SMILES | O=C(c1ccc(cc1)N1CCCC1)NCc1ccc(cc1)N1CCCC1 |
| Synonyms | 1423037-21-1,
N-(4-Pyrrolidinobenzyl) 4-pyrrolidinobenzamide,
4-(Pyrrolidin-1-yl)-N-(4-(pyrrolidin-1-yl)benzyl)benzamide,
KM4067,
ZINC95218081,
V3181,
4-(PYRROLIDIN-1-YL)-N-([4-(PYRROLIDIN-1-YL)PHENYL]METHYL)BENZAMIDE,
C22H27N3O,
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| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.478g/mol |
| Monoisotopic Mass | 349.215g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number