Basic information
- CAS
1006-26-4- Standard SMILES
CCc1c[nH]c(C=O)c1CC- InChIKey
AUYWSUQOZBWQFZ-UHFFFAOYSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- 3,4-Diethyl-2-formylpyrrole
- IUPAC
- 3,4-diethyl-1H-pyrrole-2-carbaldehyde
- English name
- 3,4-Diethyl-1H-pyrrole-2-carbaldehyde
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
1006-26-43,4-diethyl-2-formylpyrroleDTXSID70326880RefChem:270896DTXCID602779933,4-diethyl-1H-pyrrole-2-carbaldehyde1H-Pyrrole-2-carboxaldehyde, 3,4-diethyl-3,4-diethylpyrrole-2-carbaldehydeNSC620163SCHEMBL5540868AUYWSUQOZBWQFZ-UHFFFAOYSA-NNSC-620163
Show more names
NSC 6201632-Formyl-3,4-diethylpyrrole3,4-Diethylpyrrole-2-carboxaldehyde
DB-365719
Database identifiers
- CAS
1006-26-4- PubChem CID
- 359352
- DTXSID
DTXSID70326880- Nikkaji
- J1.511.588B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 42 · 42-45℃
- Boiling point
- 244 ℃ · 244℃
- Density
- 1.042 · 1.042
- Flash point
- 107 ℃ · 107℃
- pka
- 15.8 · 15.80±0.50(Predicted)
Chemistry & industry
Suppliers3 total
武汉杂环科技有限公司027-88041443 13072715837 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
4 records
Compound notes
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