| CAS Number | 2089649-86-3 |
| Catalog Number | AG00IKTY(AGN-PC-0WRAKS) |
| Chemical Name | 3-Methyl-3,6-diazabicyclo[3.1.1]heptane dihydrochloride |
| IUPAC Name | 3-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride |
| InChI | InChI=1S/C6H12N2.2ClH/c1-8-3-5-2-6(4-8)7-5;;/h5-7H,2-4H2,1H3;2*1H |
| InChI Key | LTJJMBQYCGDMHB-UHFFFAOYSA-N |
| MDL Number | MFCD30828728 |
| Molecular Formula | C6H14Cl2N2 |
| Molecular Weight | 185.0948 |
| SMILES | CN1CC(C2)NC2C1.[H]Cl.[H]Cl |
| Synonyms | 3-Methyl-3,6-diazabicyclo[3.1.1]heptane dihydrochloride,
2089649-86-3,
3-Methyl-3,6-diaza-bicyclo[3.1.1]heptane 2HCl,
MFCD28098138,
AS-52171,
CS-0051264,
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| Complexity | 92.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.092g/mol |
| Monoisotopic Mass | 184.053g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number