1-(Furan-2-ylmethyl)-3-phenylurea
Basic information
- CAS
13114-70-0- Standard SMILES
O=C(NCc1ccco1)Nc1ccccc1- InChIKey
DJYZCQZAMVKSHF-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Overview
See also: 1-Furfuryl-3-phenylurea (annotation moved to).
Names & identifiers
- Preferred name
- 1-(Furan-2-ylmethyl)-3-phenylurea
- IUPAC
- 1-(furan-2-ylmethyl)-3-phenylurea
- English name
- 1-(furan-2-ylmethyl)-3-phenylurea
- Molecular formula
- C12H12N2O2
- Molecular weight
- 216.24
Names & synonyms
1-(furan-2-ylmethyl)-3-phenylurea13114-70-01-Furfuryl-3-phenyl-urea3-[(furan-2-yl)methyl]-1-phenylureaMFCD00088133N-[(Furan-2-yl)methyl]-N'-phenylureaHMS1682K15NSC204463Cambridge id 5366152N-phenyl-N'-(2-furfuryl)ureaCHEMBL4439003SCHEMBL28554991
Show more names
1-FURFURYL-3-PHENYLUREAUrea, N-(2-furanylmethyl)-N'-phenyl-
DTXSID00308492N-(2-furylmethyl)-N'-phenylurea1-(2-furylmethyl)-3-phenyl-urea[(2-furylmethyl)amino]-N-benzamideSTK447461AKOS000665520NSC-204463TS-7268
Database identifiers
- CAS
13114-70-0- PubChem CID
- 306776
- DTXSID
DTXSID00308492- ChEMBL
CHEMBL4439003- Nikkaji
- J2.455.152K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 118 · 118-120 °C
- Boiling point
- 343.6 · 343.6±34.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- pka
- 11.67 · 11.67±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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