| CAS Number | 887587-20-4 |
| Catalog Number | AG004DQF(AGN-PC-0VNU0C) |
| Chemical Name | tert-Butyl 3-(propylamino)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(propylamino)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C12H24N2O2/c1-5-7-13-10-6-8-14(9-10)11(15)16-12(2,3)4/h10,13H,5-9H2,1-4H3 |
| InChI Key | VUTULUPDGBEPBY-UHFFFAOYSA-N |
| MDL Number | MFCD06656603 |
| Molecular Formula | C12H24N2O2 |
| Molecular Weight | 228.3312 |
| SMILES | CCCNC1CN(C(OC(C)(C)C)=O)CC1 |
| Synonyms | tert-butyl 3-(propylamino)pyrrolidine-1-carboxylate,
887587-20-4,
3-PROPYLAMINO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
1-Pyrrolidinecarboxylicacid, 3-(propylamino)-, 1,1-dimethylethyl ester,
AC1Q2Y4N,
CTK5G1586,
DTXSID70679065,
AB3511,
MFCD06656603,
AKOS017333363,
NE13395,
SC-54607,
EN300-69919,
3-propylamino-pyrrolidine-1-carboxylic acid tert-b,
Z1454466417,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.336g/mol |
| Monoisotopic Mass | 228.184g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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