Basic information
- CAS
173219-33-5- Standard SMILES
FC(F)(F)C1(c2ccc(CCOc3ncc4ccccc4n3)cc2)N=N1- InChIKey
ARMHXGIFAWMWKP-UHFFFAOYSA-N- Molecular formula
- C18H13F3N4O
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 358.10414554
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenethoxy)quinazoline
- IUPAC
- 2-[2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethoxy]quinazoline
- English name
- 4-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenethoxy)quinazoline
- Molecular formula
- C18H13F3N4O
- Molecular weight
- 358.32
Names & synonyms
CF3-Diazirinyl-fenazaquinRefChem:97190173219-33-54-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenethoxy)quinazoline2-[2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethoxy]quinazolineDTXSID509383442-(2-{4-[3-(Trifluoromethyl)-3H-diaziren-3-yl]phenyl}ethoxy)quinazoline2-(2-{4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]phenyl}ethoxy)quinazoline4-[2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethoxy]quinazoline4-[2-[4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]phenyl]ethoxy]quinazolineQuinazoline, 4-[2-[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl]ethoxy]-
Database identifiers
- CAS
173219-33-5- PubChem CID
- 133085
- DTXSID
DTXSID50938344
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 513
Physicochemical properties
- Boiling point
- 479 · 479.0±55.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3 (20 ºC 760 Torr)
- pka
- 2.85 · 2.85±0.30(Predicted)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海汉尊生物科技有限公司021-50215258 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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