| CAS Number | 886364-95-0 |
| Catalog Number | AG0049LM(AGN-PC-0VMVBQ) |
| Chemical Name | 1-Boc-3-n-(pyridin-4-ylmethyl)-amino-pyrrolidine |
| IUPAC Name | tert-butyl 3-(pyridin-4-ylmethylamino)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-9-6-13(11-18)17-10-12-4-7-16-8-5-12/h4-5,7-8,13,17H,6,9-11H2,1-3H3 |
| InChI Key | JPUYCBRZVLMKIS-UHFFFAOYSA-N |
| MDL Number | MFCD07369887 |
| Molecular Formula | C15H23N3O2 |
| Molecular Weight | 277.3620 |
| SMILES | O(C(C)(C)C)C(N1CCC(C1)NCC1C=CN=CC=1)=O |
| Synonyms | 886364-95-0,
1-boc-3-n-(pyridin-4-ylmethyl)-amino-pyrrolidine,
tert-Butyl 3-((pyridin-4-ylmethyl)amino)pyrrolidine-1-carboxylate,
3-[(pyridin-4-ylmethyl)-amino]-pyrrolidine-1-carboxylic acid tert-butyl ester,
tert-butyl 3-(pyridin-4-ylmethylamino)pyrrolidine-1-carboxylate,
tert-Butyl 3-[(pyridin-4-ylmethyl)amino]pyrrolidine-1-carboxylate,
CTK8E9995,
DTXSID00661418,
MFCD07369887,
AKOS017404372,
AB32362,
AS-36770,
BBV-44242434,
AX8036550,
RT-006216,
X-2603,
1-Boc-3-N-(pyridin-4-ylmethyl)aminopyrrolidine,
tert-butyl 3-((pyridin-4-yl)methylamino)pyrrolidine-1-carboxylate,
tert-Butyl 3-{[(pyridin-4-yl)methyl]amino}pyrrolidine-1-carboxylate,
1-BOC-3-N- -AMINO-PYRROLIDINE,
A13691,
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| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.368g/mol |
| Monoisotopic Mass | 277.179g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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