Basic information
- CAS
84787-86-0- Standard SMILES
CC(C)COC(=O)c1ccc(N(C)C)cc1C(=O)OCC(C)C- InChIKey
FKRSLRWHBAPVMF-UHFFFAOYSA-N- Molecular formula
- C18H27NO4
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.19400834
Names & identifiers
- Preferred name
- Bis(2-methylpropyl) 4-(dimethylamino)phthalate
- IUPAC
- bis(2-methylpropyl) 4-(dimethylamino)benzene-1,2-dicarboxylate
- English name
- bis(2-methylpropyl) 4-(dimethylamino)phthalate
- Molecular formula
- C18H27NO4
- Molecular weight
- 321.41128
Names & synonyms
Bis(2-methylpropyl) 4-(dimethylamino)phthalate84787-86-0EINECS 284-127-9bis(2-methylpropyl) 4-(dimethylamino)benzene-1,2-dicarboxylateDTXSID70233823FKRSLRWHBAPVMF-UHFFFAOYSA-NNS000386494-(Dimethylamino)-1,2-benzenedicarbonic acid bis(2-methylpropyl) ester
Database identifiers
- CAS
84787-86-0- PubChem CID
- 3020122
- DTXSID
DTXSID70233823- EC Number
- 284-127-9
- Nikkaji
- J309.436G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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