Basic information
- CAS
106754-95-4- Standard SMILES
NCc1c(O)ccc2c1Oc1cc(O)ccc1C21OC(=O)c2ccccc21- InChIKey
QXLIHCRNVNHDRU-UHFFFAOYSA-N- Molecular formula
- C21H15NO5
- Average molar mass
- 361.3 g/mol
- Monoisotopic mass
- 361.09502258
Names & identifiers
- Preferred name
- 4'-(Aminomethyl)-3',6'-dihydroxy-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
- IUPAC
- 4'-(aminomethyl)-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- 4'-(Aminomethyl)-3',6'-dihydroxy-3H-spiro-[isobenzofuran-1,9'-xanthen]-3-one
- Molecular formula
- C21H15NO5
- Molecular weight
- 361.35
Names & synonyms
106754-95-44'-(Aminomethyl)-3',6'-dihydroxy-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one5'-(aminomethyl)-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one4-aminomethylfluorescein4'-(aminomethyl)-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-oneSCHEMBL499201DTXSID004694314'-(Aminomethyl)-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one4/'-(Aminomethyl)-3/',6/'-dihydroxy-3H-spiro-[isobenzofuran-1,9/'-xanthen]-3-oneH619594'-(Aminomethyl)-3',6'-dihydroxy-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one4'-(aminomethyl)fluorescein
Show more names
4'-(Aminomethyl)-3',6'-dihydroxy-3H-spiro-[isobenzofuran-1,9'-xanthen]-3-oneSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4'-(aminomethyl)-3',6'-dihydroxy-
Database identifiers
- CAS
106754-95-4- PubChem CID
- 11610202
- DTXSID
DTXSID00469431- Nikkaji
- J628.650J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 599
Physicochemical properties
- Boiling point
- 653.6 · 653.6±55.0 °C(Predicted)
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- pka
- 8.56 · 8.56±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
Suppliers2 total
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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