| CAS Number | 1236525-13-5 |
| Catalog Number | AG00HHDP(AGN-PC-0WNGJP) |
| Chemical Name | (S)-Methyl 3-aminopentanoate hydrochloride |
| IUPAC Name | methyl (3S)-3-aminopentanoate;hydrochloride |
| InChI | InChI=1S/C6H13NO2.ClH/c1-3-5(7)4-6(8)9-2;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1 |
| InChI Key | QETMSSQMNUFHHA-JEDNCBNOSA-N |
| MDL Number | MFCD16877220 |
| Molecular Formula | C6H14ClNO2 |
| Molecular Weight | 167.6339 |
| SMILES | Cl.N[C@H](CC(=O)OC)CC |
| Synonyms | 1236525-13-5,
(S)-Methyl 3-aminopentanoate hydrochloride,
(S)-Methyl3-AminopentanoateHydrochloride,
SCHEMBL2697632,
QETMSSQMNUFHHA-JEDNCBNOSA-N,
Methyl (S)-3-aminopentanoate HCl,
KS-00000U3Y,
MFCD16877220,
AKOS015894494,
(S)-3-aminopentanoic acid methyl ester hydrochloride,
I05-0545,
|
| Complexity | 93.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.633g/mol |
| Monoisotopic Mass | 167.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number