Basic information
- CAS
25818-88-6- Standard SMILES
O=C(O)CCn1cnc2ccccc2c1=O- InChIKey
AMEGJBZWDKOWDQ-UHFFFAOYSA-N- Molecular formula
- C11H10N2O3
- Average molar mass
- 218.21 g/mol
- Monoisotopic mass
- 218.06914219
Names & identifiers
- Preferred name
- 3-(4-Oxo-3,4-dihydroquinazolin-3-yl)propanoic acid
- IUPAC
- 3-(4-oxoquinazolin-3-yl)propanoic acid
- English name
- 3-(4-Oxoquinazolin-3(4H)-yl)propanoic acid
- Molecular formula
- C11H10N2O3
- Molecular weight
- 218.21
Names & synonyms
3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanoic acidRefChem:493375865-235-03-(4-oxoquinazolin-3(4H)-yl)propanoic acid25818-88-63-(4-Oxo-4H-quinazolin-3-yl)-propionic acid3-(4-oxoquinazolin-3-yl)propanoic acidMFCD03131295MLS000068037SMR0000121243(4H)-Quinazolinepropanoic acid, 4-oxo-3-(4-oxo-3(4H)-quinazolinyl)propanoic acid
Show more names
3-(4-oxo-3-quinazolinyl)propanoic acid3-(4-ketoquinazolin-3-yl)propionic acid3-(4-Oxo-3,4-dihydrochinazolin-3-yl)propionsaeure3-(4-oxoquinazolin-3(4H)-yl)propanoic acid(SALTDATA: FREE)
3-(4-oxo-3-hydroquinazolin-3-yl)propanoic acidF2161-0007Opera_ID_1707Cambridge id 6917839CHEMBL1400834DTXSID70349514AMEGJBZWDKOWDQ-UHFFFAOYSA-NHMS1696G11
Database identifiers
- CAS
25818-88-6- PubChem CID
- 650896
- DTXSID
DTXSID70349514
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- 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
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers5 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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