| CAS Number | 1094679-27-2 |
| Catalog Number | AG019EQA(AGN-PC-0WD8H8) |
| Chemical Name | 4-Ethynylpyridin-2-amine |
| IUPAC Name | 4-ethynylpyridin-2-amine |
| InChI | InChI=1S/C7H6N2/c1-2-6-3-4-9-7(8)5-6/h1,3-5H,(H2,8,9) |
| InChI Key | IVHOXQCVRPYIDC-UHFFFAOYSA-N |
| MDL Number | MFCD13189750 |
| Molecular Formula | C7H6N2 |
| Molecular Weight | 118.1359 |
| SMILES | NC1=NC=CC(C#C)=C1 |
| Synonyms | 4-ethynylpyridin-2-amine,
1094679-27-2,
2-amino-4-ethynyl pyridine,
2-Pyridinamine, 4-ethynyl-,
SCHEMBL4038329,
DTXSID60610725,
IVHOXQCVRPYIDC-UHFFFAOYSA-N,
MFCD13189750,
ZINC95642447,
AB69041,
AK502090,
CS-0059695,
F-5011,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 118.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 118.139g/mol |
| Monoisotopic Mass | 118.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number