| CAS Number | 109754-82-7 |
| Catalog Number | AG01AI13(AGN-PC-0OZSQN) |
| Chemical Name | 3,4-Diaminobutanoic acid dihydrochloride |
| IUPAC Name | 3,4-diaminobutanoic acid;dihydrochloride |
| InChI | InChI=1S/C4H10N2O2.2ClH/c5-2-3(6)1-4(7)8;;/h3H,1-2,5-6H2,(H,7,8);2*1H |
| InChI Key | CYSOFTBXTQXELE-UHFFFAOYSA-N |
| MDL Number | MFCD09836079 |
| Molecular Formula | C4H12Cl2N2O2 |
| Molecular Weight | 191.0563 |
| SMILES | O=C(O)CC(N)CN.[H]Cl.[H]Cl |
| Synonyms | 3,4-diaminobutanoic acid dihydrochloride,
109754-82-7,
SCHEMBL6874747,
AKOS025146869,
NE33729,
3,4-diaminobutyric acid dihydrochloride,
EN300-76422,
(R)-3,4-Diaminobutyric acid dihydrochloride,
(S)-3,4-Diaminobutyric acid dihydrochloride,
141318-79-8,
141318-80-1,
|
| Complexity | 84.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.052g/mol |
| Monoisotopic Mass | 190.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number