| CAS Number | 1221931-26-5 |
| Catalog Number | AG01A4OC |
| Chemical Name | tert-Butyl 3-(aminomethyl)benzoate hydrochloride |
| IUPAC Name | tert-butyl 3-(aminomethyl)benzoate;hydrochloride |
| InChI | InChI=1S/C12H17NO2.ClH/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13;/h4-7H,8,13H2,1-3H3;1H |
| InChI Key | ZZLYKTDVTHFECZ-UHFFFAOYSA-N |
| MDL Number | MFCD23701947 |
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.7298 |
| SMILES | Cl.NCC=1C=C(C(=O)OC(C)(C)C)C=CC1 |
| Synonyms | tert-butyl 3-(aminomethyl)benzoate hydrochloride,
1221931-26-5,
SCHEMBL2316080,
NE61712,
Z1592024749,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.731g/mol |
| Monoisotopic Mass | 243.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number