Basic information
- CAS
49615-96-5- Standard SMILES
CC(=O)c1oc2ccccc2c1N- InChIKey
NNQBNOWMBVHDMH-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- 1-(3-Amino-1-benzofuran-2-yl)ethanone
- IUPAC
- 1-(3-amino-1-benzofuran-2-yl)ethanone
- English name
- 1-(3-AMINO-1-BENZOFURAN-2-YL)ETHANONE
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
49615-96-51-(3-amino-1-benzofuran-2-yl)ethanone1-(3-aminobenzofuran-2-yl)ethanone1-(3-Amino-benzofuran-2-yl)-ethanone1-(3-amino-1-benzofuran-2-yl)ethan-1-one1-(3-Aminobenzofuran-2-yl)ethan-1-oneEthanone,1-(3-amino-2-benzofuranyl)-MFCD00223129Ethanone, 1-(3-amino-2-benzofuranyl)-1-(3-Amino-2-benzofuranyl)ethanone2-acetyl-3-aminobenzo[b]furan3-amino-2-acetylbenzofuran
Show more names
MLS0000315782-Acetyl-3-amino-1-benzofuranSCHEMBL6857835CHEMBL1715999SCHEMBL30168106DTXSID00349582NNQBNOWMBVHDMH-UHFFFAOYSA-NHMS2393F08
Database identifiers
- CAS
49615-96-5- PubChem CID
- 654095
- DTXSID
DTXSID00349582- ChEMBL
CHEMBL1715999- EC Number
- 192-555-1
- Nikkaji
- J2.516.330C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 149 °C · 149 °C(Solv: ethanol (64-17-5))
- Boiling point
- 322.2 · 322.2±22.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- pka
- 0.33 · 0.33±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2922498590 · 2922498590
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
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
苏州筑研客生物医药有限公司15190025787 18550797660 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
2 records
Compound notes
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