| CAS Number | 54329-29-2 |
| Catalog Number | AG00E478(AGN-PC-00KGCB) |
| Chemical Name | 2-Amino-4,5-dimethyl-1-phenyl-1H-pyrrole-3-carbonitrile |
| IUPAC Name | 2-amino-4,5-dimethyl-1-phenylpyrrole-3-carbonitrile |
| InChI | InChI=1S/C13H13N3/c1-9-10(2)16(13(15)12(9)8-14)11-6-4-3-5-7-11/h3-7H,15H2,1-2H3 |
| InChI Key | FGDJNHMAJYGPOM-UHFFFAOYSA-N |
| MDL Number | MFCD08691116 |
| Molecular Formula | C13H13N3 |
| Molecular Weight | 211.2624 |
| SMILES | N#CC1=C(N)N(C2=CC=CC=C2)C(C)=C1C |
| Synonyms | 2-amino-4,5-dimethyl-1-phenyl-1H-pyrrole-3-carbonitrile,
54329-29-2,
EN300-25597,
AC1Q2DMJ,
2-amino-4,5-dimethyl-1-phenylpyrrole-3-carbonitrile,
SCHEMBL11340384,
CTK5A0510,
DTXSID90515118,
MFCD08691116,
SBB094506,
ZINC10037791,
AKOS008081453,
MCULE-8675706248,
AJ-59653,
BC4145335,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.268g/mol |
| Monoisotopic Mass | 211.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number