9-Butyramidojulolidine
Basic information
- CAS
100700-22-9- Standard SMILES
CCCC(=O)Nc1cc2c3c(c1)CCCN3CCC2- InChIKey
AVUGJDOFAYYYMI-UHFFFAOYSA-N- Molecular formula
- C16H22N2O
- Average molar mass
- 258.36 g/mol
- Monoisotopic mass
- 258.17321333
Names & identifiers
- Preferred name
- 9-Butyramidojulolidine
- IUPAC
- N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)butanamide
- English name
- 1-Furfuryl-3-(p-tolylsulfonyl)-urea
- Molecular formula
- C13H14N2O4S
- Molecular weight
- 294.33
Names & synonyms
9-ButyramidojulolidineDTXSID80303682RefChem:1074954DTXCID50254814100796-22-3NSC160040N-(2,3,6,7-Tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)butanamideN-[?]ylbutanamideN-(2,3,6,7-Tetrahydro-1H,5H-benzo(ij)quinolizin-9-yl)butyramideCHEMBL2005121Butyramide, N-(2,3,6,7-tetrahydro-1H,5H-benzo(ij)quinolizin-9-yl)-NSC-160040
Show more names
1-FURFURYL-3-(PARA-TOLYLSULFONYL)-UREA1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonylureaBenzenesulfonamide, N-[[(2-furanylmethyl)amino]carbonyl]-4-methyl-
100700-22-9NCI60_001183
Database identifiers
- CAS
100700-22-9、100796-22-3- PubChem CID
- 293445
- DTXSID
DTXSID80303682- ChEMBL
CHEMBL2005121- Nikkaji
- J65.845F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 167 · 167-169 °C(Solv: water (7732-18-5); methanol (67-56-1))
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- pka
- 5.11 · 5.11±0.10(Predicted)
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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