| CAS Number | 16975-45-4 |
| Catalog Number | AG00ABBZ(AGN-PC-0Q9JY8) |
| Chemical Name | n-me-dl-phe-ome hcl |
| IUPAC Name | methyl 2-(methylamino)-3-phenylpropanoate;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c1-12-10(11(13)14-2)8-9-6-4-3-5-7-9;/h3-7,10,12H,8H2,1-2H3;1H |
| InChI Key | ZIFGLAQTUGRAAB-UHFFFAOYSA-N |
| MDL Number | MFCD08458660 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | Cl.CNC(C(OC)=O)CC1=CC=CC=C1 |
| Synonyms | N-Me-Dl-Phe-Ome HCl,
16975-45-4,
N-Methyl-DL-phenylalanine methyl ester hydrochloride,
N-Me-DL-Phe-OMe . HCl,
130008-09-2,
7561AH,
MFCD08458660,
AKOS025404242,
AS-46841,
A-8726,
(R)-Methyl 2-(methylamino)-3-phenylpropanoate hydrochloride,
methyl (2S)-2-(methylamino)-3-phenylpropanoate;hydrochloride,
C11H15NO2.HCl,
19460-86-7,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.704g/mol |
| Monoisotopic Mass | 229.087g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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