6-Amino-4,4,5,7,8-pentamethyldihydrocoumarin
Basic information
- CAS
120372-42-1- Standard SMILES
Cc1c(C)c2c(c(C)c1N)C(C)(C)CC(=O)O2- InChIKey
ZZUXOJYBCCWZOH-UHFFFAOYSA-N- Molecular formula
- C14H19NO2
- Average molar mass
- 233.31 g/mol
- Monoisotopic mass
- 233.14157885
Names & identifiers
- Preferred name
- 6-Amino-4,4,5,7,8-pentamethyldihydrocoumarin
- IUPAC
- 6-amino-4,4,5,7,8-pentamethyl-3H-chromen-2-one
- English name
- 6-amino-4,4,5,7,8-pentamethyldihydrocoumarin
- Molecular formula
- C14H19NO2
- Molecular weight
- 233.31
Names & synonyms
6-Apmdc120372-42-16-Amino-4,4,5,7,8-pentamethyldihydrocoumarinRefChem:1041866-amino-4,4,5,7,8-pentamethyl-3H-chromen-2-oneSCHEMBL3363222DTXSID009233616-Amino-4,4,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 6-amino-3,4-dihydro-4,4,5,7,8-pentamethyl-
Database identifiers
- CAS
120372-42-1- PubChem CID
- 129131
- DTXSID
DTXSID00923361
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 371.9 · 371.9±42.0 °C(Predicted)
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- pka
- 3.75 · 3.75±0.40(Predicted)
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Compound notes
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