| CAS Number | 99840-54-7 |
| Catalog Number | AG004X7H(AGN-PC-0077QB) |
| Chemical Name | 5,5'-Dimethyldipyrromethane |
| IUPAC Name | 2-[2-(1H-pyrrol-2-yl)propan-2-yl]-1H-pyrrole |
| InChI | InChI=1S/C11H14N2/c1-11(2,9-5-3-7-12-9)10-6-4-8-13-10/h3-8,12-13H,1-2H3 |
| InChI Key | LATXIKIAELSWEJ-UHFFFAOYSA-N |
| MDL Number | MFCD08669617 |
| Molecular Formula | C11H14N2 |
| Molecular Weight | 174.2423 |
| SMILES | CC(C1NC=CC=1)(C1NC=CC=1)C |
| Synonyms | 5,5'-DIMETHYLDIPYRROMETHANE,
99840-54-7,
dipyrrolylpropane,
2-[2-(1H-pyrrol-2-yl)propan-2-yl]-1H-pyrrole,
2,2-Bis(2-pyrrolyl)propane,
CTK8F6570,
DTXSID70462934,
KUC105365N,
KSC-7-175,
ZINC16054459,
AKOS006289277,
C-1928,
CID11344288,
2,2'-(propane-2,2-diyl)bis(1H-pyrrole),
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.247g/mol |
| Monoisotopic Mass | 174.116g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 31.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number