| CAS Number | 1171176-74-1 |
| Catalog Number | AG019UYW(AGN-PC-0WOQIB) |
| Chemical Name | N1-(pyrimidin-2-yl)propane-1,3-diamine dihydrochloride |
| IUPAC Name | N'-pyrimidin-2-ylpropane-1,3-diamine;dihydrochloride |
| InChI | InChI=1S/C7H12N4.2ClH/c8-3-1-4-9-7-10-5-2-6-11-7;;/h2,5-6H,1,3-4,8H2,(H,9,10,11);2*1H |
| InChI Key | CQBBJGRUZAWXQV-UHFFFAOYSA-N |
| MDL Number | MFCD11858037 |
| Molecular Formula | C7H14Cl2N4 |
| Molecular Weight | 225.1189 |
| SMILES | Cl.Cl.NCCCNC1=NC=CC=N1 |
| Synonyms | N-(3-aminopropyl)pyrimidin-2-amine dihydrochloride,
1171176-74-1,
N1-(pyrimidin-2-yl)propane-1,3-diamine dihydrochloride,
AC1Q3AVB,
CTK7E8444,
AKOS016903326,
MCULE-6683883677,
NE51796,
EN300-43248,
Z444311056,
|
| Complexity | 90.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.117g/mol |
| Monoisotopic Mass | 224.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number