3-Butyl-2-hydroxyquinazolin-4(3h)-one
Basic information
- CAS
6944-59-8- Standard SMILES
CCCCn1c(=O)[nH]c2ccccc2c1=O- InChIKey
DSSUNKPFKROAGO-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Names & identifiers
- Preferred name
- 3-Butyl-2-hydroxyquinazolin-4(3h)-one
- IUPAC
- 3-butyl-1H-quinazoline-2,4-dione
Names & synonyms
3-butyl-2-hydroxyquinazolin-4(3h)-one6944-59-8DTXSID10289086RefChem:277935DTXCID502402323-butyl-2-hydroxy-3,4-dihydroquinazolin-4-one3-butyl-1H-quinazoline-2,4-dione3-butylquinazoline-2,4(1H,3H)-dione3-butyl-2,4(1H,3H)-quinazolinedioneNSC589563-butyl-1,2,3,4-tetrahydroquinazoline-2,4-dioneOprea1_129436
Show more names
Oprea1_564710SCHEMBL14560539HMS1767G13HMS3436C12NSC-58956AKOS0011447103-butyl-1,3-dihydroquinazoline-2,4-dioneST50985108
Database identifiers
- CAS
6944-59-8- PubChem CID
- 246265
- DTXSID
DTXSID10289086- EC Number
- 100-418-4
- Nikkaji
- J2.389.250B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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