| CAS Number | 1236226-80-4 |
| Catalog Number | AG00HHD6(AGN-PC-0WCV4N) |
| Chemical Name | 1-amino-3-methyl-2,3-butanediol |
| IUPAC Name | 1-amino-3-methylbutane-2,3-diol |
| InChI | InChI=1S/C5H13NO2/c1-5(2,8)4(7)3-6/h4,7-8H,3,6H2,1-2H3 |
| InChI Key | BVWUNQADJNOXKU-UHFFFAOYSA-N |
| MDL Number | MFCD22412591 |
| Molecular Formula | C5H13NO2 |
| Molecular Weight | 119.1622 |
| SMILES | C(C)(C)(O)C(CN)O |
| Synonyms | 1-amino-3-methyl-2,3-butanediol,
1-amino-3-methylbutane-2,3-diol,
1236226-80-4,
SCHEMBL3309787,
ALBB-026682,
ZX-AN025191,
ZX-CM010729,
MFCD22412591,
2,3-butanediol, 1-amino-3-methyl-,
AKOS017258588,
FCH1640436,
A-6984,
|
| Complexity | 72.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 119.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 119.164g/mol |
| Monoisotopic Mass | 119.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number