| CAS Number | 1311315-94-2 |
| Catalog Number | AG01AIYG |
| Chemical Name | 3-amino-2-[(4-phenylphenyl)methyl]propanoic acid hydrochloride |
| IUPAC Name | 2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C16H17NO2.ClH/c17-11-15(16(18)19)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13;/h1-9,15H,10-11,17H2,(H,18,19);1H |
| InChI Key | ZBOGOVTYILOEOB-UHFFFAOYSA-N |
| MDL Number | MFCD18917416 |
| Molecular Formula | C16H18ClNO2 |
| Molecular Weight | 291.7726 |
| SMILES | Cl.NCC(C(O)=O)CC1=CC=C(C2=CC=CC=C2)C=C1 |
| Synonyms | 3-amino-2-[(4-phenylphenyl)methyl]propanoic acid hydrochloride,
1311315-94-2,
AKOS025440063,
MCULE-1589319920,
NE32862,
EN300-79353,
Z1259340006,
3-amino-2-({[1,1'-biphenyl]-4-yl}methyl)propanoic acid hydrochloride,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.102606g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.77g/mol |
| Monoisotopic Mass | 291.102606g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.3Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number