Basic information
- CAS
5282-72-4- Standard SMILES
CCOc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1- InChIKey
DHFHPYAMOLEBRQ-UHFFFAOYSA-N- Molecular formula
- C20H22N2O3
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.16304257
Names & identifiers
- Preferred name
- 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
- IUPAC
- 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
- English name
- 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
- Molecular formula
- C20H22N2O3
- Molecular weight
- 338.4
Names & synonyms
2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile5282-72-4DTXSID50385591RefChem:255500DTXCID00336614314767-26-52-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrileMFCD00245015Cambridge id 52827242-Amino-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrilePMA76726CCG-15785
Show more names
4H-1-Benzopyran-3-carbonitrile, 2-amino-4-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-
STK041688AKOS000487470AKOS016340250MS-6854ST020728CS-0320412UNM000000518701AB00079083-01
Database identifiers
- CAS
5282-72-4- PubChem CID
- 2839402
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 672
Chemistry & industry
Suppliers6 total
Ryan Scientific, Inc.[email protected]
ARONIS[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
BIONET-INTER[email protected]
SPECS[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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