Cas no 57414-36-5 ( )
structure
Product Name:
CAS No:57414-36-5
MF:C21H14N6O2
MW:382.374863147736
CID:947004
Update Time:2024-06-13
Chemical and Physical Properties
Names and Identifiers
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- N',N'-bis(3,4-dicyanophenyl)pentanediamide
- AG-G-02573
- CTK5A6833
- N,N-BIS(3,4-DICYANOPHENYL)PENTANEDIAMIDE
- Pentanediamide, N1,N5-bis(3,4-dicyanophenyl)-
-
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- Inchi: 1S/C21H14N6O2/c22-10-14-4-6-18(8-16(14)12-24)26-20(28)2-1-3-21(29)27-19-7-5-15(11-23)17(9-19)13-25/h4-9H,1-3H2,(H,26,28)(H,27,29)
- InChI Key: JPPCDCMCPFHBEY-UHFFFAOYSA-N
- SMILES: C(NC1=CC=C(C#N)C(C#N)=C1)(=O)CCCC(NC1=CC=C(C#N)C(C#N)=C1)=O
Computed Properties
- Exact Mass: 382.11802
- Monoisotopic Mass: 382.117824
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 6
- Complexity: 747
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 153
Experimental Properties
- Density: 1.37
- Boiling Point: 810.5°C at 760 mmHg
- Flash Point: 444°C
- Refractive Index: 1.639
- PSA: 153.36
- LogP: 3.06682
- pka: 12.69±0.70(Predicted)
Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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