| CAS Number | 86266-64-0 |
| Catalog Number | AG00J3HD(AGN-PC-0V3ISK) |
| Chemical Name | N-benzyl-beta-alanine hydrochloride |
| IUPAC Name | 3-(benzylamino)propanoic acid;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c12-10(13)6-7-11-8-9-4-2-1-3-5-9;/h1-5,11H,6-8H2,(H,12,13);1H |
| InChI Key | KVOYPZXQUFLMHX-UHFFFAOYSA-N |
| MDL Number | MFCD09971509 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | C(O)(=O)CCNCC1=CC=CC=C1.Cl |
| Synonyms | 3-(benzylamino)propanoic acid hydrochloride,
86266-64-0,
N-Benzyl-beta-alanine hydrochloride,
AC1Q3F0A,
SCHEMBL7823186,
CTK7J4389,
MFCD09971509,
AKOS025147020,
MCULE-5490248981,
NE20036,
EN300-31533,
|
| Complexity | 153 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.677g/mol |
| Monoisotopic Mass | 215.071g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number