Basic information
- CAS
38518-76-2- Standard SMILES
Nc1cc(=O)c2ccccc2o1- InChIKey
VSZPIIMZVZQSKS-UHFFFAOYSA-N- Molecular formula
- C9H7NO2
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.04767847
Names & identifiers
- Preferred name
- 2-Amino-4H-chromen-4-one
- IUPAC
- 2-aminochromen-4-one
- English name
- 2-Amino-4H-1-benzopyran-4-one
- Molecular formula
- C9H7NO2
- Molecular weight
- 161.16
Names & synonyms
2-Amino-4H-chromen-4-one38518-76-22-Aminochromone2-aminochromen-4-one2-Amino-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2-amino-MFCD00460143SCHEMBL19431942-Amino-4H-chromen-4-one #SCHEMBL30218368DTXSID10344220SBB074226
Show more names
STL259767AKOS000478657SY488768DB-083075ST4151004CS-0332477F730314
Database identifiers
- CAS
38518-76-2- PubChem CID
- 595166
- DTXSID
DTXSID10344220- Nikkaji
- J131.927B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 270 · 270-272 °C (decomp)
- Boiling point
- 272 · 272.0±40.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- pka
- 2.12 · 2.12±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers8 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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