| CAS Number | 176249-81-3 |
| Catalog Number | AG00AQIC(AGN-PC-0WACNE) |
| Chemical Name | BOC-dl-Ala-NH-nBu |
| IUPAC Name | tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate |
| InChI | InChI=1S/C12H24N2O3/c1-6-7-8-13-10(15)9(2)14-11(16)17-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,15)(H,14,16) |
| InChI Key | KPAZHKSDTYCANB-UHFFFAOYSA-N |
| MDL Number | MFCD01118775 |
| Molecular Formula | C12H24N2O3 |
| Molecular Weight | 244.3306 |
| SMILES | CCCCNC(=O)C(C)NC(=O)OC(C)(C)C |
| Synonyms | BOC-dl-Ala-NH-nBu,
176249-81-3,
tert-Butyl (1-(butylamino)-1-oxopropan-2-yl)carbamate,
Tert-butyl N-[1-(butylcarbamoyl)ethyl]carbamate,
AKOS000169487,
K-5417,
CID10824212,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.335g/mol |
| Monoisotopic Mass | 244.179g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number