| CAS Number | 91012-17-8 |
| Catalog Number | AG0039R7(AGN-PC-068B71) |
| Chemical Name | Methyl 3-amino-2-phenylpropanoate hydrochloride |
| IUPAC Name | methyl 3-amino-2-phenylpropanoate;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c1-13-10(12)9(7-11)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H |
| InChI Key | XEIPXRKVVATEEC-UHFFFAOYSA-N |
| MDL Number | MFCD06740372 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | Cl.NCC(C(=O)OC)C1=CC=CC=C1 |
| Synonyms | methyl 3-amino-2-phenylpropanoate hydrochloride,
91012-17-8,
Methyl 3-Amino-2-phenylpropionate Hydrochloride,
SCHEMBL114327,
XEIPXRKVVATEEC-UHFFFAOYSA-N,
7007AJ,
MFCD06740372,
AKOS030524988,
MCULE-3954479883,
Methyl 3-Amino-2-phenylpropionate HCl,
NE48088,
SY032343,
FT-0687532,
EN300-91236,
MFCD06740372 (95%),
A57823,
3-Amino-2-phenyl-propionic acid methyl ester HCl,
(R)-3-Amino-2-Phenylpropanoic Acid Methyl Ester HCL,
Z1262398527,
3-Amino-2-phenyl-propionic acid methyl ester hydrochloride,
C10H13NO2.HCl,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.677g/mol |
| Monoisotopic Mass | 215.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^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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