Basic information
- CAS
900513-14-6- Standard SMILES
CC(C)n1cnc2ccc(N)cc2c1=O- InChIKey
DFLMREXNJDPURX-UHFFFAOYSA-N- Molecular formula
- C11H13N3O
- Average molar mass
- 203.24 g/mol
Names & identifiers
- Preferred name
- 6-amino-3-isopropylquinazolin-4(3H)-one
- IUPAC
- 6-amino-3-propan-2-ylquinazolin-4-one
- English name
- 6-amino-3-isopropylquinazolin-4(3H)-one
- Molecular formula
- C11H13N3O
- Molecular weight
- 203.24
Names & synonyms
6-amino-3-isopropylquinazolin-4(3H)-one900513-14-6MFCD092615546-amino-3-propan-2-ylquinazolin-4-one6-amino-3-(propan-2-yl)-3,4-dihydroquinazolin-4-oneALBB-0326506-amino-3-isopropyl-quinazolin-4-oneAKOS002671665VS-10420CS-0274500H46484EN300-1105547
Show more names
6-Amino-3-isopropyl-3H-quinazolin-4-one4(3H)-Quinazolinone, 6-amino-3-(1-methylethyl)-
Database identifiers
- CAS
900513-14-6
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 138 °C · 138 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 403.4 · 403.4±47.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 4.54 · 4.54±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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