| CAS Number | 100369-81-1 |
| Catalog Number | AG019PD7 |
| Chemical Name | propan-2-yl 3-amino-3-phenylpropanoate hydrochloride |
| IUPAC Name | propan-2-yl 3-amino-3-phenylpropanoate;hydrochloride |
| InChI | InChI=1S/C12H17NO2.ClH/c1-9(2)15-12(14)8-11(13)10-6-4-3-5-7-10;/h3-7,9,11H,8,13H2,1-2H3;1H |
| InChI Key | IKISDTYQDRRPAM-UHFFFAOYSA-N |
| MDL Number | MFCD07838441 |
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.7298 |
| SMILES | Cl.CC(OC(CC(C1=CC=CC=C1)N)=O)C |
| Synonyms | isopropyl 3-amino-3-phenylpropanoate hydrochloride,
100369-82-2,
propan-2-yl 3-amino-3-phenylpropanoate hydrochloride,
100369-81-1,
SCHEMBL7598880,
CTK8E5973,
DTXSID00564697,
AC1Q3952,
AKOS022180611,
MCULE-4638947032,
NE35028,
RT-013371,
EN300-23275,
J-000121,
Z166605404,
Propan-2-yl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1),
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.731g/mol |
| Monoisotopic Mass | 243.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number