4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde - CAS 6250-80-2
Catalog: |
BB031629 |
Product Name: |
4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde |
CAS: |
6250-80-2 |
Synonyms: |
4-ethyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde |
IUPAC Name: | 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde |
Description: | 4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde (CAS# 6250-80-2) is a useful research chemical. |
Molecular Weight: | 151.21 |
Molecular Formula: | C9H13NO |
Canonical SMILES: | CCC1=C(NC(=C1C)C=O)C |
InChI: | InChI=1S/C9H13NO/c1-4-8-6(2)9(5-11)10-7(8)3/h5,10H,4H2,1-3H3 |
InChI Key: | VHIKIUXLJPZNCA-UHFFFAOYSA-N |
Boiling Point: | 262.3 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.044 g/cm3 |
MDL: | MFCD05864532 |
LogP: | 2.00640 |
Publication Number | Title | Priority Date |
JP-2017014195-A | Iridium complex | 20150626 |
JP-6654107-B2 | Iridium complex | 20150626 |
CN-105324367-A | Metal complexes and fluorination thereof | 20130503 |
CN-105339013-A | Metal complexes and their fluorination | 20130503 |
EP-2991688-A1 | Metal complexes and their fluorination | 20130503 |
PMID | Publication Date | Title | Journal |
16143774 | 20050901 | Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.099714038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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