Basic information
- CAS
5049-47-8- Standard SMILES
Cc1ccc(C)n1Cc1ccco1- InChIKey
GHUVRTIRHVRLRU-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Names & identifiers
- Preferred name
- 1-((furan-2-yl)methyl)-2,5-dimethyl-1H-pyrrole
- IUPAC
- 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole
- English name
- 1-Furan-2-ylmethyl-2,5-dimethyl-1H-pyrrole
- Molecular formula
- C11H13NO
- Molecular weight
- 175.23
Names & synonyms
5049-47-81-[(furan-2-yl)methyl]-2,5-dimethyl-1H-pyrrole1-((furan-2-yl)methyl)-2,5-dimethyl-1H-pyrroleRefChem:418836966-060-31-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole1-(furan-2-ylmethyl)-2,5-dimethylpyrroleEnamine_004916F3284-7963SCHEMBL11279599HMS1407P10FAA04947
Show more names
1-Furan-2-ylmethyl-2,5-dimethyl-1H-pyrrole1H-Pyrrole, 1-(2-furanylmethyl)-2,5-dimethyl-
AKOS0001013342-[(2,5-dimethylpyrrolyl)methyl]furanST50403460EN300-16406G35059Z55669079
Database identifiers
- CAS
5049-47-8- PubChem CID
- 2378281
- EC Number
- 966-060-3
- Nikkaji
- J2.333.815G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 132 · 132-135 °C(Press: 21 Torr)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- pka
- -0.86 · -0.86±0.70(Predicted)
- LogP
- 2.8 · 2.800 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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