| CAS Number | 2138066-00-7 |
| Catalog Number | AG01EJB2 |
| Chemical Name | tert-butyl 7-aminoheptanoate hydrochloride |
| IUPAC Name | tert-butyl 7-aminoheptanoate;hydrochloride |
| InChI | InChI=1S/C11H23NO2.ClH/c1-11(2,3)14-10(13)8-6-4-5-7-9-12;/h4-9,12H2,1-3H3;1H |
| InChI Key | NPIWXXXAHSSCJV-UHFFFAOYSA-N |
| MDL Number | MFCD31559827 |
| Molecular Formula | C11H24ClNO2 |
| Molecular Weight | 237.7668 |
| SMILES | Cl.CC(OC(CCCCCCN)=O)(C)C |
| Synonyms | tert-butyl 7-aminoheptanoate hydrochloride,
2138066-00-7,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.768g/mol |
| Monoisotopic Mass | 237.15g/mol |
| Rotatable Bond Count | 8 |
| 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