| CAS Number | 914347-67-4 |
| Catalog Number | AG00GV2N(AGN-PC-07A1HP) |
| Chemical Name | 1-(5-Bromopyrimidin-2-yl)-3-piperidinol |
| IUPAC Name | 1-(5-bromopyrimidin-2-yl)piperidin-3-ol |
| InChI | InChI=1S/C9H12BrN3O/c10-7-4-11-9(12-5-7)13-3-1-2-8(14)6-13/h4-5,8,14H,1-3,6H2 |
| InChI Key | GRLXJCOKIJPPLA-UHFFFAOYSA-N |
| MDL Number | MFCD08460363 |
| Molecular Formula | C9H12BrN3O |
| Molecular Weight | 258.1151 |
| SMILES | BrC1C=NC(=NC=1)N1CCCC(C1)O |
| Synonyms | 1-(5-Bromopyrimidin-2-yl)-3-piperidinol,
914347-67-4,
1-(5-bromopyrimidin-2-yl)piperidin-3-ol,
CTK8A0362,
KS-00000PWN,
DTXSID40661755,
ANW-44989,
MFCD08460363,
SBB101965,
AKOS013186136,
DS-2043,
MP-0129,
AK-22115,
TC-133734,
4CH-011643,
ST24021135,
Z5332,
C9H12BrN3O,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.119g/mol |
| Monoisotopic Mass | 257.016g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number