Basic information
- CAS
766-95-0- Standard SMILES
CCc1ccc(CC)[nH]1- InChIKey
CIKZQBMEPDKJHF-UHFFFAOYSA-N- Molecular formula
- C8H13N
- Average molar mass
- 123.2 g/mol
- Monoisotopic mass
- 123.10479942
Names & identifiers
- Preferred name
- 1H-Pyrrole, 2,5-diethyl-
- IUPAC
- 2,5-diethyl-1H-pyrrole
- English name
- 2,5-Diethyl-1H-pyrrole
- Molecular formula
- C8H13N
- Molecular weight
- 123.2
Names & synonyms
2,5-diethyl-1H-pyrrole766-95-01H-Pyrrole, 2,5-diethyl-2,5-diethylpyr-roleSCHEMBL890877SCHEMBL22716012DTXSID60227418CIKZQBMEPDKJHF-UHFFFAOYSA-NSB63290DB-337935
Database identifiers
- CAS
766-95-0- PubChem CID
- 136602
- DTXSID
DTXSID60227418- Nikkaji
- J79.940H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 70.6
Physicochemical properties
- Melting point
- 63.75 °C · 63.75°C (estimate)
- Boiling point
- 186.05 °C · 186.05°C
- Density
- 0.9098 · 0.9098 (estimate)
- refractive index
- 1.4844 · 1.4844 (estimate)
Chemistry & industry
Suppliers9 total
宁波博盛医药技术有限公司15706225626 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
武汉开诺医药科技有限公司18040571231/1402788087
上海默达医药科技有限公司+86 (0)21 51320687 51371369 1744605818
Ningbo Polysyn Pharmatech Co.,Ltd+undefined15706225626 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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