| CAS Number | 1384264-47-4 |
| Catalog Number | AG00194K(AGN-PC-0WNOMU) |
| Chemical Name | 4-(Azetidin-3-yl)pyrimidine dihydrochloride |
| IUPAC Name | 4-(azetidin-3-yl)pyrimidine;dihydrochloride |
| InChI | InChI=1S/C7H9N3.2ClH/c1-2-8-5-10-7(1)6-3-9-4-6;;/h1-2,5-6,9H,3-4H2;2*1H |
| InChI Key | HSLRLTHHIIOLOD-UHFFFAOYSA-N |
| MDL Number | MFCD22573701 |
| Molecular Formula | C7H11Cl2N3 |
| Molecular Weight | 208.0883 |
| SMILES | Cl.Cl.C1C(C2=NC=NC=C2)CN1 |
| Synonyms | 4-(Azetidin-3-yl)pyrimidine dihydrochloride,
1384264-47-4,
4-(AZETIDIN-3-YL)PYRIMIDINE 2HCL,
MFCD22573701,
AS-37516,
AX8266798,
X-3456,
Pyrimidine, 4-(3-azetidinyl)-, hydrochloride (1:2),
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| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.086g/mol |
| Monoisotopic Mass | 207.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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