Basic information
- CAS
1218-54-8- Standard SMILES
Nc1ccc(-c2cc3ccccc3oc2=O)cc1- InChIKey
LYIBWAQRUZXFGC-UHFFFAOYSA-N- Molecular formula
- C15H11NO2
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.07897859
Overview
fluorescent dye for imaging myelin; structure in first source
Names & identifiers
- Preferred name
- 3-(4-aminophenyl)-2H-chromen-2-one
- IUPAC
- 3-(4-aminophenyl)chromen-2-one
- English name
- 3-(4-Amino-phenyl)-chromen-2-one
- Molecular formula
- C15H11NO2
- Molecular weight
- 237.25
Names & synonyms
3-(4-aminophenyl)-2H-chromen-2-onecase myelin compoundRefChem:9109901218-54-83-(4-Amino-phenyl)-chromen-2-one3-(4-aminophenyl)chromen-2-oneMFCD00297993NSC215992Oprea1_722011Oprea1_822255CBDivE_014653MLS001210068
Show more names
AKOS BB-8647ASISCHEM T31059ZERENEX E/4047755LABOTEST-BB LT001141362H-1-Benzopyran-2-one, 3-(4-aminophenyl)-
3-(4'-aminophenyl)-coumarinSCHEMBL2202460CHEMBL1528660SCHEMBL30096432DTXSID90309791HMS1609D22HMS2847C18STK141142
Database identifiers
- CAS
1218-54-8- PubChem CID
- 310860
- DTXSID
DTXSID90309791- ChEMBL
CHEMBL1528660
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
Experimental & physicochemical properties
Solubility17.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P403-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P403-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers13 total
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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