3-(1-Methyl-4-oxo-1,4-dihydroquinazolin-2-yl)propanoic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
730957-01-4- Standard SMILES
Cn1c(CCC(=O)O)nc(=O)c2ccccc21- InChIKey
VOHJZGOPODQGPB-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- 3-(1-Methyl-4-oxo-1,4-dihydroquinazolin-2-yl)propanoic acid
- IUPAC
- 3-(1-methyl-4-oxoquinazolin-2-yl)propanoic acid
- English name
- 3-(1-METHYL-4-OXO-1,4-DIHYDROQUINAZOLIN-2-YL)PROPANOIC ACID
- Molecular formula
- C12H12N2O3
- Molecular weight
- 232.24
Names & synonyms
730957-01-43-(1-methyl-4-oxo-1,4-dihydroquinazolin-2-yl)propanoic acidRefChem:489565983-239-13-(1-Methyl-4-oxo-1,4-dihydro-quinazolin-2-yl)-propionic acid3-(1-methyl-4-oxoquinazolin-2-yl)propanoic acidMFCD04622328SBB085298AKOS000116974SY132273EN300-07029AB00721786-01
Show more names
2-Quinazolinepropanoic acid, 1,4-dihydro-1-methyl-4-oxo-
3-(1-methyl-4-oxohydroquinazolin-2-yl)propanoic acidZ569469053-(1-methyl-4-oxo-1,4-dihydroquinazolin-2-yl)propanoicacid
Database identifiers
- CAS
730957-01-4- PubChem CID
- 3559620
- EC Number
- 983-239-1
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 447.9 · 447.9±47.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 3.92 · 3.92±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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.
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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