Basic information
- CAS
335206-96-7- Standard SMILES
COc1cc(N)ccc1-c1cc2ccccc2oc1=O- InChIKey
ZNTKIICGKNNUHH-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- 3-(4-Amino-2-methoxyphenyl)-2H-1-benzopyran-2-one
- IUPAC
- 3-(4-amino-2-methoxyphenyl)chromen-2-one
- English name
- 3-(4-Amino-2-methoxy-phenyl)-chromen-2-one
- Molecular formula
- C16H13NO3
- Molecular weight
- 267.28
Names & synonyms
335206-96-73-(4-Amino-2-methoxyphenyl)-2H-1-benzopyran-2-oneRefChem:2743443-(4-Amino-2-methoxy-phenyl)-chromen-2-one3-(4-amino-2-methoxyphenyl)-2H-chromen-2-one3-(4-amino-2-methoxyphenyl)chromen-2-oneOprea1_204714Oprea1_780279MLS001212749SCHEMBL3127507CHEMBL1302647ZNTKIICGKNNUHH-UHFFFAOYSA-N
Show more names
AKOS BB-8649ASISCHEM T31070ZERENEX E/4047757ART-CHEM-BB B025620TIMTEC-BB SBB007331LABOTEST-BB LT008735682H-1-Benzopyran-2-one, 3-(4-amino-2-methoxyphenyl)-
DTXSID001233040HMS2822G04SBB007331STK038388AKOS000111333SMR0005177313-(4-amino-2-methoxy-phenyl)chromen-2-oneCS-0320339
Database identifiers
- CAS
335206-96-7- PubChem CID
- 736324
- DTXSID
DTXSID001233040- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 407
Experimental & physicochemical properties
Solubility>40.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 512.2 · 512.2±50.0 °C(Predicted)
- Density
- 1.3 · 1.300±0.06 g/cm3(Predicted)
- pka
- 4.01 · 4.01±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers11 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
LABOTEST-BB[email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ASINEX-REAG[email protected]
TIMTEC-BB[email protected]
MATRIX[email protected]
ART-CHEM-BB[email protected]
ZERENEX[email protected]
PRINCETON[email protected]
ASISCHEM[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…