Basic information
- CAS
62838-20-4- Standard SMILES
NCCn1c(-c2ccccc2)nc2ccccc2c1=O- InChIKey
OUTJVLKVOHOPPK-UHFFFAOYSA-N- Molecular formula
- C16H15N3O
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.12151211
Names & identifiers
- Preferred name
- 3-(2-Aminoethyl)-2-phenyl-4(3H)-quinazolinone
- IUPAC
- 3-(2-aminoethyl)-2-phenylquinazolin-4-one
- English name
- AKOS BC-1718
- Molecular formula
- C16H15N3O
- Molecular weight
- 265.31
Names & synonyms
62838-20-43-(2-Aminoethyl)-2-phenyl-4(3H)-quinazolinoneW708FC2UYWUNII-W708FC2UYWNSC 354463NSC-3544634(3H)-Quinazolinone, 3-(2-aminoethyl)-2-phenyl-DTXSID80212008RefChem:92147DTXCID401344993-(2-AMINOETHYL)-2-PHENYLQUINAZOLIN-4(3H)-ONE3-(2-aminoethyl)-2-phenylquinazolin-4-one
Show more names
AKOS BC-1718
NSC354463MFCD090372443-(2-aminoethyl)-2-phenyl-3,4-dihydroquinazolin-4-oneSCHEMBL6309822ALBB-036794AKOS0041210223-(2-aminoethyl)-2-phenyl-quinazolin-4-oneH39056
Database identifiers
- CAS
62838-20-4- PubChem CID
- 337257
- DTXSID
DTXSID80212008- UNII
- W708FC2UYW
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Melting point
- 239 °C · 239 °C(Solv: ethanol (64-17-5))
- Boiling point
- 454.2 · 454.2±47.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 8.82 · 8.82±0.10(Predicted)
- FDA UNII
- 708 FC2UYW · W708FC2UYW
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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