| CAS Number | 57054-96-3 |
| Catalog Number | AG00EOXB(AGN-PC-0SMYHS) |
| Chemical Name | 4-(benzylamino)butanoic acid hydrochloride |
| EC Number | 260-533-1 |
| IUPAC Name | 4-(benzylamino)butanoic acid;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c13-11(14)7-4-8-12-9-10-5-2-1-3-6-10;/h1-3,5-6,12H,4,7-9H2,(H,13,14);1H |
| InChI Key | BDZYWVNAYHSTKE-UHFFFAOYSA-N |
| MDL Number | MFCD18974021 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | Cl.OC(CCCNCC1=CC=CC=C1)=O |
| Synonyms | 4-(benzylamino)butanoic acid hydrochloride,
57054-96-3,
4-(Benzylamino)butyric acid hydrochloride,
4-(Benzylamino)butyric acid HCl,
EINECS 260-533-1,
4-benzylamino-butyricacid,
4-Benzylamino-buttersaeure,
4-benzylamino-butyric acid,
AC1NX4K6,
DTXSID80205672,
MFCD18974021,
AKOS027445333,
MCULE-6448037636,
Z1569708913,
hydrochloride,
Hydrochlorid,
C11-H15-N-O2.Cl-H,
CID5743523,
4-(benzylamino)butanoic acid,hydrochloride,
26735-10-4,
|
| Complexity | 165 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.704g/mol |
| Monoisotopic Mass | 229.087g/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
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Certificate of Analysis
Lot Number