| CAS Number | 117067-98-8 |
| Catalog Number | AG01A1AR(AGN-PC-0P9XKS) |
| Chemical Name | 2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetonitrile |
| IUPAC Name | 2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetonitrile |
| InChI | InChI=1S/C8H11N3/c1-11(2)8(6-9)7-4-3-5-10-7/h3-5,8,10H,1-2H3 |
| InChI Key | WKQHSDZQLQQWFH-UHFFFAOYSA-N |
| MDL Number | MFCD12964756 |
| Molecular Formula | C8H11N3 |
| Molecular Weight | 149.1930 |
| SMILES | CN(C(C1NC=CC=1)C#N)C |
| Synonyms | 2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetonitrile,
117067-98-8,
AKOS006357603,
NE30079,
1H-Pyrrole-2-acetonitrile, a-(dimethylamino)-,
Z2469998121,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.197g/mol |
| Monoisotopic Mass | 149.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number