| CAS Number | 2007917-04-4 |
| Catalog Number | AG002CZW(AGN-PC-0WNGQ6) |
| Chemical Name | 3-(pyridin-3-yl)oxetan-3-amine dihydrochloride |
| IUPAC Name | 3-pyridin-3-yloxetan-3-amine;dihydrochloride |
| InChI | InChI=1S/C8H10N2O.2ClH/c9-8(5-11-6-8)7-2-1-3-10-4-7;;/h1-4H,5-6,9H2;2*1H |
| InChI Key | KCGZZXQOIPLMAW-UHFFFAOYSA-N |
| MDL Number | MFCD29918550 |
| Molecular Formula | C8H12Cl2N2O |
| Molecular Weight | 223.0997 |
| SMILES | NC1(C2=CC=CN=C2)COC1.[H]Cl.[H]Cl |
| Synonyms | 3-(Pyridin-3-yl)oxetan-3-amine dihydrochloride,
2007917-04-4,
3-(Pyridin-3-yl)oxetan-3-amine 2HCl,
MFCD29918550,
AKOS030628566,
KS-0000056E,
AS-53049,
CS-0051660,
3-Oxetanamine, 3-(3-pyridinyl)-, hydrochloride (1:2),
N/A,
na,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.097g/mol |
| Monoisotopic Mass | 222.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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