N,N'-Diisopropylphthalamide
Basic information
- CAS
38228-97-6- Standard SMILES
CC(C)NC(=O)c1ccccc1C(=O)NC(C)C- InChIKey
WYYLYWSIWFBBLG-UHFFFAOYSA-N- Molecular formula
- C14H20N2O2
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.15247789
Names & identifiers
- Preferred name
- N,N'-Diisopropylphthalamide
- IUPAC
- 1-N,2-N-di(propan-2-yl)benzene-1,2-dicarboxamide
- English name
- N,N'-Diisopropylphthalamide
- Molecular formula
- C14H20N2O2
- Molecular weight
- 248.32
Names & synonyms
N,N'-Diisopropylphthalamide38228-97-6DTXSID40357489RefChem:358480DTXCID50308548N1,N2-Diisopropylphthalamide1-N,2-N-di(propan-2-yl)benzene-1,2-dicarboxamidestarbld0037367Enamine_005971Oprea1_201087WYYLYWSIWFBBLG-UHFFFAOYSA-NHMS1410P09
Show more names
N,N′-DiisopropylphthalamideN,N′-Diisopropylphthalamide, CAS 38228-97-61,2-Benzenedicarboxamide, N1,N2-bis(1-methylethyl)-
N,N'-Diisopropylphthalamide, 95%AKOS001033919IDI1_008206Phthalic acid, diamide, N,N'-diisopropylST50319712SR-01000025270SR-01000025270-1Z56756664
Database identifiers
- CAS
38228-97-6- PubChem CID
- 853754
- DTXSID
DTXSID40357489
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Melting point
- 210 · 210-213 °C(lit.)
- Boiling point
- 462.8 · 462.8±28.0 °C(Predicted)
- Density
- 1.048 · 1.048±0.06 g/cm3(Predicted)
- pka
- 13.83 · 13.83±0.46(Predicted)
- InChI
- 1S/C14H20N2O2/c1-9(2)15-13(17)11-7-5-6-8-12(11)14(18)16-10(3)4/h5-10H,1-4H3,(H,15,17)(H,16,18)
- InChIKey
- WYYLYWSIWFBBLG-UHFFFAOYSA-N
- SMILES
- CC(C)NC(=O)c1ccccc1C(=O)NC(C)C
- UNSPSC Code
- 12352100 · 12352100
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
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