| CAS Number | 33628-84-1 |
| Catalog Number | AG00CLVA(AGN-PC-0R94N4) |
| Chemical Name | Methyl Z-L-Alaninamide |
| IUPAC Name | benzyl N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamate |
| InChI | InChI=1S/C12H16N2O3/c1-9(11(15)13-2)14-12(16)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1 |
| InChI Key | OGLOMKXQVPOBEP-VIFPVBQESA-N |
| MDL Number | MFCD22689105 |
| Molecular Formula | C12H16N2O3 |
| Molecular Weight | 236.2670 |
| SMILES | CNC(=O)[C@H](C)NC(=O)OCC1=CC=CC=C1 |
| Synonyms | Methyl Z-L-Alaninamide,
33628-84-1,
SCHEMBL16215535,
KS-00000TBW,
BENZYL N-[(1S)-1-(METHYLCARBAMOYL)ETHYL]CARBAMATE,
MFCD22689105,
ZINC39648174,
AKOS026673665,
DS-9888,
D-Nalpha-Benzyloxycarbonylalaninmethylamid,
V5264,
K-7744,
61280-88-4,
C12H16N2O3,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.271g/mol |
| Monoisotopic Mass | 236.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302
|
|
Packing Group
|
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number