| CAS Number | 100108-77-8 |
| Catalog Number | AG008V1F(AGN-PC-0OPF7W) |
| Chemical Name | L-Alanine-13C3 |
| IUPAC Name | (2S)-2-amino(1,2,3-13C3)propanoic acid |
| InChI | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1,2+1,3+1 |
| InChI Key | QNAYBMKLOCPYGJ-GCCOVPGMSA-N |
| MDL Number | MFCD00083881 |
| Molecular Formula | C3H7NO2 |
| Molecular Weight | 92.0711 |
| SMILES | [13C](O)(=O)[13C@H]([13CH3])N |
| Synonyms | L-Alanine-13C3,
100108-77-8,
L-Alanine-13C3, d4,
L-(~13~C_3_)Alanine,
DTXSID90583958,
L-Alanine-13C3, 98 atom % 13C, 95% (CP),
L-Alanine-13C3, S & P tested, 99 atom % 13C,
(2S)-2-Aminopropanoic acid,
CS-CH-00027,
|
| Complexity | 61.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 92.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 3 |
| Molecular Weight | 92.071g/mol |
| Monoisotopic Mass | 92.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number