| CAS Number | 1036488-30-8 |
| Catalog Number | AG00HA4Z(AGN-PC-0WR2WC) |
| Chemical Name | (R)-tert-Butyl 3-(4-aminophenoxy)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl (3R)-3-(4-aminophenoxy)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-9-8-13(10-17)19-12-6-4-11(16)5-7-12/h4-7,13H,8-10,16H2,1-3H3/t13-/m1/s1 |
| InChI Key | RYWQNZFJMSYAED-CYBMUJFWSA-N |
| MDL Number | MFCD11849608 |
| Molecular Formula | C15H22N2O3 |
| Molecular Weight | 278.3468 |
| SMILES | O(C1C=CC(=CC=1)N)[C@@H]1CCN(C1)C(=O)OC(C)(C)C |
| Synonyms | 1036488-30-8,
(R)-tert-Butyl 3-(4-aminophenoxy)pyrrolidine-1-carboxylate,
tert-butyl (3R)-3-(4-aminophenoxy)pyrrolidine-1-carboxylate,
SCHEMBL15376614,
DTXSID70649728,
MFCD11849608,
ZINC12957741,
AJ-63297,
AS-44780,
CJ-14286,
(R)-1-Boc-3-(4-aminophenoxy)pyrrolidine,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.352g/mol |
| Monoisotopic Mass | 278.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number