| CAS Number | 1217775-76-2 |
| Catalog Number | AG009HP6 |
| Chemical Name | (S)-Methyl 3-amino-3-(4-chlorophenyl)propanoate hydrochloride |
| IUPAC Name | methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C10H12ClNO2.ClH/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H/t9-;/m0./s1 |
| InChI Key | CKHLTQXMMBPPQU-FVGYRXGTSA-N |
| MDL Number | MFCD12911014 |
| Molecular Formula | C10H13Cl2NO2 |
| Molecular Weight | 250.1217 |
| SMILES | Cl.COC(C[C@@H](C1=CC=C(Cl)C=C1)N)=O |
| Synonyms | 1217775-76-2,
methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate hydrochloride,
(S)-METHYL 3-AMINO-3-(4-CHLOROPHENYL)PROPANOATE HCl,
(S)-Methyl 3-amino-3-(4-chlorophenyl)propanoate hydrochloride,
SCHEMBL389435,
MFCD12911014,
AKOS015891232,
MCULE-1739582096,
NE22113,
SB17714,
AC-27718,
BC650594,
I01-8987,
Methyl (3R)-3-amino-3-(4-chlorophenyl)propanoate HCl,
Z1331055684,
CKHLTQXMMBPPQU-FVGYRXGTSA-N,
124082-19-5,
METHYL (3R)-3-AMINO-3-(4-CHLOROPHENYL)PROPANOATE HYDROCHLORIDE,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.119g/mol |
| Monoisotopic Mass | 249.032g/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