| CAS Number | 159831-30-8 |
| Catalog Number | AG00B2Y2(AGN-PC-0Q7RJS) |
| Chemical Name | 5-Amino-1-methyl-1H-pyrrole-3-carbonitrile |
| IUPAC Name | 5-amino-1-methylpyrrole-3-carbonitrile |
| InChI | InChI=1S/C6H7N3/c1-9-4-5(3-7)2-6(9)8/h2,4H,8H2,1H3 |
| InChI Key | OAZQYILEWTZDER-UHFFFAOYSA-N |
| MDL Number | MFCD18810288 |
| Molecular Formula | C6H7N3 |
| Molecular Weight | 121.1399 |
| SMILES | N#CC1(=CN(C)C(=C1)N) |
| Synonyms | 5-amino-1-methyl-1H-pyrrole-3-carbonitrile,
159831-30-8,
SCHEMBL5157095,
DTXSID20435552,
KS-000022ZZ,
ZX-RL003316,
FCH944317,
MFCD18810288,
ZINC39073490,
AKOS006350163,
BG-0709,
MCULE-4837298960,
5-amino-1-methylpyrrole-3-carbonitrile,
OR310053,
CID10103164,
5-amino-1-methyl-pyrrole-3-carbonitrile,
1H-Pyrrole-3-carbonitrile, 5-amino-1-methyl- (9CI),
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 121.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 121.143g/mol |
| Monoisotopic Mass | 121.064g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number