2-((7-Chloroquinazolin-4-yl)amino)acetic acid
Basic information
- CAS
886499-29-2- Standard SMILES
O=C(O)CNc1ncnc2cc(Cl)ccc12- InChIKey
AUBGIDWHGKYTLJ-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3O2
- Average molar mass
- 237.64 g/mol
- Monoisotopic mass
- 237.0305042
Names & identifiers
- Preferred name
- 2-((7-Chloroquinazolin-4-yl)amino)acetic acid
- IUPAC
- 2-[(7-chloroquinazolin-4-yl)amino]acetic acid
- English name
- (7-Chloro-quinazolin-4-ylamino)-acetic acid
- Molecular formula
- C10H8ClN3O2
- Molecular weight
- 237.64
Names & synonyms
2-((7-Chloroquinazolin-4-yl)amino)acetic acid886499-29-22-[(7-chloroquinazolin-4-yl)amino]acetic Acid(7-Chloro-quinazolin-4-ylamino)-acetic acidDTXSID801297278RPC68355N-(7-Chloro-4-quinazolinyl)glycineN-(7-Chloroquinazolin-4-yl)glycineAKOS0159962822-((7-Chloroquinazolin-4-yl)amino)aceticacid
Database identifiers
- CAS
886499-29-2- PubChem CID
- 7174403
- DTXSID
DTXSID801297278
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 22
- hazard_code
- Xn
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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