| CAS Number | 1170550-19-2 |
| Catalog Number | AG019UQ0 |
| Chemical Name | 4-([(3-Chlorophenyl)methyl]amino)butanoic acid hydrochloride |
| IUPAC Name | 4-[(3-chlorophenyl)methylamino]butanoic acid;hydrochloride |
| InChI | InChI=1S/C11H14ClNO2.ClH/c12-10-4-1-3-9(7-10)8-13-6-2-5-11(14)15;/h1,3-4,7,13H,2,5-6,8H2,(H,14,15);1H |
| InChI Key | SNRHQPIBDMAAQK-UHFFFAOYSA-N |
| MDL Number | MFCD11857902 |
| Molecular Formula | C11H15Cl2NO2 |
| Molecular Weight | 264.1483 |
| SMILES | Cl.OC(CCCNCC1=CC(Cl)=CC=C1)=O |
| Synonyms | 4-{[(3-chlorophenyl)methyl]amino}butanoic acid hydrochloride,
1170550-19-2,
AC1Q3EZO,
CTK7J3845,
AKOS016900469,
MCULE-9371411143,
NE26874,
EN300-42472,
Z432066896,
4-([(3-chlorophenyl)methyl]amino)butanoic acid hydrochloride,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.146g/mol |
| Monoisotopic Mass | 263.048g/mol |
| Rotatable Bond Count | 6 |
| 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