| CAS Number | 679796-43-1 |
| Catalog Number | AG00F9ZL(AGN-PC-0OGEUO) |
| Chemical Name | (S)-alpha-(2-Naphthalenylmethyl)-proline-HCl |
| IUPAC Name | (2S)-2-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C16H17NO2.ClH/c18-15(19)16(8-3-9-17-16)11-12-6-7-13-4-1-2-5-14(13)10-12;/h1-2,4-7,10,17H,3,8-9,11H2,(H,18,19);1H/t16-;/m0./s1 |
| InChI Key | ADHGINNJMRTZOI-NTISSMGPSA-N |
| MDL Number | MFCD00455012 |
| Molecular Formula | C16H18ClNO2 |
| Molecular Weight | 291.7726 |
| SMILES | Cl.OC(=O)[C@@]1(CC2=CC3=C(C=CC=C3)C=C2)CCCN1 |
| Synonyms | (S)-alpha-(2-naphthalenylmethyl)-proline-HCl,
679796-43-1,
C16H17NO2.HCl,
AC1MC5YW,
4429AH,
MFCD06659188,
(2S)-2-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylic Acid Hydrochloride,
D-Proline,2-(2-naphthalenylmethyl)-,
PD185-1,
(S)-a-(2-Naphthalenylmethyl)proline.HCl,
PS-12577,
2-(2-Naphthylmethyl)-D-proline hydrochloride,
A-7937,
(S)-alpha-(2-Naphthalenylmethyl)proline hydrochloride,
(2S)-2-(2-naphthylmethyl)-2-pyrrolidinecarboxylic acid hydrochloride,
(S)-2-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylic acid hydrochloride,
CID2761883,
(S)-1-(Naphthalen-2-ylmethyl)pyrrolidine-2-carboxylicacidhydrochloride,
1049727-63-0,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.775g/mol |
| Monoisotopic Mass | 291.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number