| CAS Number | 21764-56-7 |
| Catalog Number | AG00BDBE(AGN-PC-0QYAJG) |
| Chemical Name | L-Alanine-1-13C |
| IUPAC Name | (2S)-2-amino(113C)propanoic acid |
| InChI | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i3+1 |
| InChI Key | QNAYBMKLOCPYGJ-NSQKCYGPSA-N |
| MDL Number | MFCD00082257 |
| Molecular Formula | C3H7NO2 |
| Molecular Weight | 90.0858 |
| SMILES | [13C](O)(=O)[C@H](C)N |
| Synonyms | L-Alanine-1-13C,
21764-56-7,
DTXSID90480392,
L-Alanine-1-13C,3,3,3-d3,
ACM21764567,
L-Alanine-1-13C, 99 atom % 13C,
FT-0693448,
|
| Complexity | 61.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 90.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 1 |
| Molecular Weight | 90.086g/mol |
| Monoisotopic Mass | 90.051g/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