2-amino-4-(4-methoxyphenyl)-4H-benzo(h)chromene-3-carbonitrile
Basic information
- CAS
119825-06-8- Standard SMILES
COc1ccc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1- InChIKey
WUJXZJYOTMYIOZ-UHFFFAOYSA-N- Molecular formula
- C21H16N2O2
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.12117776
Names & identifiers
- Preferred name
- 2-amino-4-(4-methoxyphenyl)-4H-benzo(h)chromene-3-carbonitrile
- IUPAC
- 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
- English name
- 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
- Molecular formula
- C21H16N2O2
- Molecular weight
- 328.36
Names & synonyms
2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile119825-06-8DTXSID303845472-amino-4-(4-methoxyphenyl)-4H-benzo(h)chromene-3-carbonitrileRefChem:255507DTXCID50335571CHEMBL12765694H-Naphtho[1,2-b]pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-2-Amino-4-(4-methoxyphenyl)-4H-naphtho[1,2-b]pyran-3-carbonitrile2-Amino-4-(4-methoxy-phenyl)-4H-benzo[h]chromene-3-carbonitrileBDBM50595909NSC805022
Show more names
STL369822AKOS000294626AKOS016339996CCG-115462NSC-805022ST50236898AB00079391-012Z-0224
Database identifiers
- CAS
119825-06-8- PubChem CID
- 2807472
- DTXSID
DTXSID30384547- ChEMBL
CHEMBL1276569- Nikkaji
- J1.451.188A
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 570
Physicochemical properties
- Melting point
- 192 · 192-194 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5))
- Boiling point
- 563.4 · 563.4±50.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 2.9 · 2.90±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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