| CAS Number | 207226-24-2 |
| Catalog Number | AG00BPD5(AGN-PC-0WGDKJ) |
| Chemical Name | 1 3-DIAMINOACETONE DIHYDROCHLORIDE |
| IUPAC Name | 1,3-diaminopropan-2-one;hydrate;dihydrochloride |
| InChI | InChI=1S/C3H8N2O.2ClH.H2O/c4-1-3(6)2-5;;;/h1-2,4-5H2;2*1H;1H2 |
| InChI Key | NWGWIZCBVTVWAW-UHFFFAOYSA-N |
| MDL Number | MFCD00066966 |
| Molecular Formula | C3H12Cl2N2O2 |
| Molecular Weight | 179.0456 |
| SMILES | C(C(=O)CN)N.O.Cl.Cl |
| Synonyms | 1,3-Diaminoacetone dihydrochloride monohydrate,
207226-24-2,
1 3-DIAMINOACETONE DIHYDROCHLORIDE,
DTXSID70597912,
NWGWIZCBVTVWAW-UHFFFAOYSA-N,
ACM207226242,
1,3-Diaminoacetone dihydrochloride monohydrate, 97%,
1,3-Diaminopropan-2-one--hydrogen chloride--water (1/2/1),
|
| Complexity | 46.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.041g/mol |
| Monoisotopic Mass | 178.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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