| CAS Number | 1207175-18-5 |
| Catalog Number | AG008XPT(AGN-PC-0WBS90) |
| Chemical Name | 4-ethynylpyrimidin-2-amine |
| IUPAC Name | 4-ethynylpyrimidin-2-amine |
| InChI | InChI=1S/C6H5N3/c1-2-5-3-4-8-6(7)9-5/h1,3-4H,(H2,7,8,9) |
| InChI Key | NIYUIYKJIYIVFX-UHFFFAOYSA-N |
| MDL Number | MFCD12755763 |
| Molecular Formula | C6H5N3 |
| Molecular Weight | 119.1240 |
| SMILES | NC1=NC=CC(C#C)=N1 |
| Synonyms | 4-ethynylpyrimidin-2-amine,
1207175-18-5,
2-AMINO-4-ETHYNYLPYRIMIDINE,
4-ETHYNYL-2-PYRIMIDINAMINE,
2-Pyrimidinamine, 4-ethynyl-,
SCHEMBL3900681,
DTXSID40668264,
KS-000008BL,
MFCD12755763,
ZINC51971755,
AKOS006343576,
PB31662,
AS-34894,
DB-012195,
ST1140966,
CS-0050865,
FT-0736447,
C-8911,
I03-0526,
S03-0166,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 119.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 119.127g/mol |
| Monoisotopic Mass | 119.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number