| CAS Number | 597562-96-4 |
| Catalog Number | AG00ELKH(AGN-PC-0WP077) |
| Chemical Name | (S)-2-ethylpyrrolidine |
| IUPAC Name | (2S)-2-ethylpyrrolidine;hydrochloride |
| InChI | InChI=1S/C6H13N.ClH/c1-2-6-4-3-5-7-6;/h6-7H,2-5H2,1H3;1H/t6-;/m0./s1 |
| InChI Key | LKNCADZJRBHOFP-RGMNGODLSA-N |
| MDL Number | MFCD29045437 |
| Molecular Formula | C6H14ClN |
| Molecular Weight | 135.6351 |
| SMILES | CC[C@@H]1NCCC1.[H]Cl |
| Synonyms | (S)-2-Ethylpyrrolidine,
597562-96-4,
SCHEMBL3352233,
LKNCADZJRBHOFP-RGMNGODLSA-N,
(2s)-2-ethylpyrrolidine hydrochloride,
AKOS030524770,
2-ethylpyrrolidine hydrochloride,
(S)-2-ethylpyrrolidine hydrochloride,
(2S)-2-Ethylpyrrolidine;hydrochloride,
|
| Complexity | 52.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.635g/mol |
| Monoisotopic Mass | 135.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number