| CAS Number | 1170629-15-8 |
| Catalog Number | AG019UN1 |
| Chemical Name | 3-{[(4-Tert-butylphenyl)methyl]amino}propanoic acid hydrochloride |
| IUPAC Name | 3-[(4-tert-butylphenyl)methylamino]propanoic acid;hydrochloride |
| InChI | InChI=1S/C14H21NO2.ClH/c1-14(2,3)12-6-4-11(5-7-12)10-15-9-8-13(16)17;/h4-7,15H,8-10H2,1-3H3,(H,16,17);1H |
| InChI Key | WLALEELBAJCSKV-UHFFFAOYSA-N |
| MDL Number | MFCD11798842 |
| Molecular Formula | C14H22ClNO2 |
| Molecular Weight | 271.7830 |
| SMILES | Cl.CC(C1=CC=C(CNCCC(O)=O)C=C1)(C)C |
| Synonyms | 3-{[(4-tert-butylphenyl)methyl]amino}propanoic acid hydrochloride,
1170629-15-8,
AC1Q38YU,
CTK7J4376,
AKOS016900553,
MCULE-4829590783,
NE20112,
EN300-42180,
Z426041570,
3-([(4-tert-butylphenyl)methyl]amino)propanoic acid hydrochloride,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.785g/mol |
| Monoisotopic Mass | 271.134g/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