| CAS Number | 7126-46-7 |
| Catalog Number | AG00FSDP(AGN-PC-0NK25A) |
| Chemical Name | 1-Methyl-1H-pyrrole-3-carbonitrile |
| IUPAC Name | 1-methylpyrrole-3-carbonitrile |
| InChI | InChI=1S/C6H6N2/c1-8-3-2-6(4-7)5-8/h2-3,5H,1H3 |
| InChI Key | VZSLEHOZJCZYJD-UHFFFAOYSA-N |
| MDL Number | MFCD11111734 |
| Molecular Formula | C6H6N2 |
| Molecular Weight | 106.1252 |
| SMILES | C1(C=CN(C)C=1)C#N |
| Synonyms | 1-methyl-1H-pyrrole-3-carbonitrile,
7126-46-7,
1H-Pyrrole-3-carbonitrile, 1-methyl-,
SCHEMBL1780017,
MFCD11111734,
ZINC39275160,
AKOS006307715,
Y-6652,
1-Methyl-1H-pyrrole-3-carbonitrile, AldrichCPR,
Z1517449823,
1H-PYRROLE-3-CARBONITRILE,1-METHYL-,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 106.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 106.128g/mol |
| Monoisotopic Mass | 106.053g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^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
|
|
Packing Group
|
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number