| CAS Number | 1187386-42-0 |
| Catalog Number | AG007PR7(AGN-PC-0WNR5Y) |
| Chemical Name | 2-((5-Bromopyrimidin-2-Yl)Amino)Ethanol |
| IUPAC Name | 2-[(5-bromopyrimidin-2-yl)amino]ethanol |
| InChI | InChI=1S/C6H8BrN3O/c7-5-3-9-6(10-4-5)8-1-2-11/h3-4,11H,1-2H2,(H,8,9,10) |
| InChI Key | ZOWWENNIWOWMQL-UHFFFAOYSA-N |
| MDL Number | MFCD12546488 |
| Molecular Formula | C6H8BrN3O |
| Molecular Weight | 218.0512 |
| SMILES | BrC1=CN=C(NCCO)N=C1 |
| Synonyms | 1187386-42-0,
2-((5-Bromopyrimidin-2-yl)amino)ethanol,
5-BROMO-2-(2-HYDROXYETHYLAMINO)PYRIMIDINE,
2-[(5-Bromopyrimidin-2-yl)amino]ethan-1-ol,
ACMC-2099zw,
CTK4B0876,
DTXSID10675147,
ANW-17226,
MFCD12546488,
ZINC38537684,
AKOS013187685,
AJ-96202,
TR-034309,
CS-0080185,
Z8021,
A-5323,
I03-766,
C6H8BrN3O,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.054g/mol |
| Monoisotopic Mass | 216.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number