| CAS Number | 58644-56-7 |
| Catalog Number | AG00EB8I(AGN-PC-0KKU8T) |
| Chemical Name | 4-(Isocyanomethyl)pyridine |
| IUPAC Name | 4-(isocyanomethyl)pyridine |
| InChI | InChI=1S/C7H6N2/c1-8-6-7-2-4-9-5-3-7/h2-5H,6H2 |
| InChI Key | MCYOVNZPMYQFTF-UHFFFAOYSA-N |
| MDL Number | MFCD26620328 |
| Molecular Formula | C7H6N2 |
| Molecular Weight | 118.1359 |
| SMILES | [C-]#[N+]CC1=CC=NC=C1 |
| Synonyms | 4-(isocyanomethyl)pyridine,
58644-56-7,
4-isocyanomethylpyridin,
4-Isocyanomethylpyridine,
TOS-BB-0794,
AC1MCK5B,
4-Pyridinylmethyl isocyanide,
Pyridine, 4-(isocyanomethyl)-,
SCHEMBL6968162,
CTK1E9234,
DTXSID40377960,
ZINC95686588,
AKOS001476718,
4-(Isocyanomethyl)pyridine, AldrichCPR,
CID2771560,
|
| Complexity | 116 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 118.139g/mol |
| Monoisotopic Mass | 118.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number