| CAS Number | 916145-68-1 |
| Catalog Number | AG01AI6V(AGN-PC-042JA2) |
| Chemical Name | Tert-butyl 2-(1-hydroxyethyl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 2-(1-hydroxyethyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H21NO3/c1-8(13)9-6-5-7-12(9)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3 |
| InChI Key | JNNOAQQODYAQBD-UHFFFAOYSA-N |
| MDL Number | MFCD20232789 |
| Molecular Formula | C11H21NO3 |
| Molecular Weight | 215.2893 |
| SMILES | CC(C1N(C(OC(C)(C)C)=O)CCC1)O |
| Synonyms | tert-butyl 2-(1-hydroxyethyl)pyrrolidine-1-carboxylate,
916145-68-1,
1-Boc-2-(1-hydroxyethyl)-pyrrolidine,
tert-Butyl (2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate,
SCHEMBL3571595,
JNNOAQQODYAQBD-UHFFFAOYSA-N,
1307800-86-7,
1-Boc-2-(1-hydroxyethyl)pyrrolidine,
AKOS023830131,
NE30373,
CS-0079128,
EN300-76849,
2-(1-hydroxy-ethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester,
2-(1-Hydroxyethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester,
310450-41-0,
tert-Butyl (2S)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.293g/mol |
| Monoisotopic Mass | 215.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number