Hemopyrrole
Basic information
- CAS
491-18-9- Standard SMILES
CCc1c[nH]c(C)c1C- InChIKey
WGUZBCNNSVWXTR-UHFFFAOYSA-N- Molecular formula
- C8H13N
- Average molar mass
- 123.2 g/mol
- Monoisotopic mass
- 123.10479942
Names & identifiers
- Preferred name
- Hemopyrrole
- IUPAC
- 4-ethyl-2,3-dimethyl-1H-pyrrole
- English name
- 4-Ethyl-2,3-dimethyl-1H-pyrrole
- Molecular formula
- C8H13N
- Molecular weight
- 123.2
Names & synonyms
Hemopyrrole1H-Pyrrole, 4-ethyl-2,3-dimethyl-2,3-Dimethyl-4-ethylpyrrole491-18-9DTXSID90197675RefChem:145552DTXCID501201664-Ethyl-2,3-dimethyl-1H-pyrroleHamopyrrolSCHEMBL6060895WGUZBCNNSVWXTR-UHFFFAOYSA-N4-Ethyl-2,3-dimethyl-1H-pyrrole #
Show more names
AKOS005266452NS00113808
Database identifiers
- CAS
491-18-9- PubChem CID
- 79024
- DTXSID
DTXSID90197675- Nikkaji
- J6.051H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.6
Physicochemical properties
- Melting point
- 16.5 °C · 16.5°C
- Boiling point
- 175.67 °C · 175.67°C (estimate)
- Density
- 0.915 · 0.9150
- refractive index
- 1.4844 · 1.4844 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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