| CAS Number | 5260-20-8 |
| Catalog Number | AG00DBZB(AGN-PC-0SD4GS) |
| Chemical Name | 2,5-Diazabicyclo[2.2.1]heptane, dihydrochloride |
| IUPAC Name | (1R,4R)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride |
| InChI | InChI=1S/C5H10N2.2ClH/c1-4-2-6-5(1)3-7-4;;/h4-7H,1-3H2;2*1H/t4-,5-;;/m1../s1 |
| InChI Key | PIDOCGDMKRSJMT-ALUAXPQUSA-N |
| MDL Number | MFCD26142215 |
| Molecular Formula | C5H12Cl2N2 |
| Molecular Weight | 171.0682 |
| SMILES | [H][C@@]1(C2)NC[C@@]2([H])NC1.[H]Cl.[H]Cl |
| Synonyms | 5260-20-8,
2,5-Diazabicyclo[2.2.1]heptane, dihydrochloride,
(1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrochloride,
C5H10N2.2HCl,
SCHEMBL8483421,
1392AJ,
AS-48126,
FT-0695511,
(1s,4s)-2,5-diazabicyclo[2.2.1]heptane 2hcl,
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| Complexity | 72.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.065g/mol |
| Monoisotopic Mass | 170.038g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 24.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number