Nsc320003
Basic information
- CAS
4802-89-5- Standard SMILES
CCN1C2=NCCN2C(=O)c2ccccc21- InChIKey
KCGUQYXTRFJGEH-UHFFFAOYSA-N- Molecular formula
- C12H13N3O
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.10586205
Names & identifiers
- Preferred name
- Nsc320003
- IUPAC
- 10-ethyl-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
- English name
- 2,10-Dihydro-10-ethylimidazo(2,1-b)quinazoline-5(3H)-one
- Molecular formula
- C12H13N3O
- Molecular weight
- 215.25
Names & synonyms
4802-89-5NSC320003DTXSID10317737RefChem:854889DTXCID0026886010-Ethyl-2,3-dihydroimidazo[2,1-b]quinazolin-5(10H)-one10-ethyl-2,10-dihydroimidazo[2,1-b]quinazolin-5(3H)-oneSCHEMBL2494160AKOS024335804NSC-3200032,10-Dihydro-10-ethylimidazo(2,1-b)quinazoline-5(3H)-oneImidazo[2,1-b]quinazolin-5(3H)-one, 10-ethyl-2,10-dihydro-
Database identifiers
- CAS
4802-89-5- PubChem CID
- 330749
- DTXSID
DTXSID10317737- EC Number
- 665-728-9
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 154 · 154-155 °C
- Boiling point
- 358.6 · 358.6±25.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 5.91 · 5.91±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
0 records
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Compound notes
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