-
Name
NNN'N'-TETRAETHYLISOPHTHALAMIDE
- EINECS
- CAS No. 13698-87-8
- Article Data3
- CAS DataBase
- Density 1.038 g/cm3
- Solubility 199g/L(30 oC)
- Melting Point 86°C
- Formula C16H24N2O2
- Boiling Point 455.4 °C at 760 mmHg
- Molecular Weight 276.379
- Flash Point 198.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,3-Benzenedicarboxamide,N,N,N',N'-tetraethyl- (9CI);m-Bis(diethylcarbamoyl)benzene;Isophthalamide, N,N,N',N'-tetraethyl- (6CI,8CI);N,N,N',N'-Tetraethylbenzene-1,3-dicarboxamide;N,N,N',N'-Tetraethylisophthalamide;
- PSA 40.62000
- LogP 2.65060
1,3-Benzenedicarboxamide,N1,N1,N3,N3-tetraethyl- Specification
The 1,3-Benzenedicarboxamide,N1,N1,N3,N3-tetraethyl-, with the CAS registry number 13698-87-8, is also known as N,N,N',N'-Tetraethylisophthalamide. This chemical's molecular formula is C16H24N2O2 and molecular weight is 276.37. What's more, its systematic name is N,N,N',N'-Tetraethylbenzene-1,3-dicarboxamide.
Physical properties of 1,3-Benzenedicarboxamide,N1,N1,N3,N3-tetraethyl- are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 3.71; (6)ACD/BCF (pH 7.4): 3.71; (7)ACD/KOC (pH 5.5): 88.96; (8)ACD/KOC (pH 7.4): 88.96; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 81.54 cm3; (15)Molar Volume: 266 cm3; (16)Polarizability: 32.32×10-24 cm3; (17)Surface Tension: 39.6 dyne/cm; (18)Density: 1.038 g/cm3; (19)Flash Point: 198.2 °C; (20)Enthalpy of Vaporization: 71.52 kJ/mol; (21)Boiling Point: 455.4 °C at 760 mmHg; (22)Vapour Pressure: 1.76E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(CC)C(=O)C1=CC(=CC=C1)C(=O)N(CC)CC
(2)InChI: InChI=1S/C16H24N2O2/c1-5-17(6-2)15(19)13-10-9-11-14(12-13)16(20)18(7-3)8-4/h9-12H,5-8H2,1-4H3
(3)InChIKey: GZWCNZZTWDDVSL-UHFFFAOYSA-N
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