| CAS Number | 102522-48-5 |
| Catalog Number | AG008X13(AGN-PC-0ORMGH) |
| Chemical Name | benzyl N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamate |
| IUPAC Name | benzyl N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamate |
| InChI | InChI=1S/C12H17NO5/c14-7-12(8-15,9-16)13-11(17)18-6-10-4-2-1-3-5-10/h1-5,14-16H,6-9H2,(H,13,17) |
| InChI Key | MCMNTNJMDVMJQE-UHFFFAOYSA-N |
| MDL Number | MFCD30186618 |
| Molecular Formula | C12H17NO5 |
| Molecular Weight | 255.2671 |
| SMILES | OCC(NC(OCC1=CC=CC=C1)=O)(CO)CO |
| Synonyms | 102522-48-5,
Cbz-Tris,
SCHEMBL15552484,
A1-04804,
N-[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamic Acid Benzyl Ester,
Carbamic acid, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-, phenylmethyl ester,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.27g/mol |
| Monoisotopic Mass | 255.111g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 99A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number