Cas no 67613-13-2 ([1,1'-Biphenyl]-4-carboxamide,4'-pentyl-)
67613-13-2 structure
Product Name:[1,1'-Biphenyl]-4-carboxamide,4'-pentyl-
CAS No:67613-13-2
MF:C18H21NO
MW:267.365444898605
CID:525822
PubChem ID:105479
Update Time:2025-04-19
[1,1'-Biphenyl]-4-carboxamide,4'-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-4-carboxamide,4'-pentyl-
- p-Pentyl-p'-carboxamide
- 4'-Pentylbiphenyl-4-carboxamide
- 67613-13-2
- [1,1'-Biphenyl]-4-carboxamide, 4'-pentyl-
- (1,1'-Biphenyl)-4-carboxamide, 4'-pentyl-
- 4'-Pentyl-biphenyl-4-carboxylic acid amide
- SCHEMBL2241887
- AKOS024344841
- DTXSID0070528
- p-Pentylbiphenyl-p'-carboxamide
- 4'-n-pentyl-4-biphenylcarboxamide
- 4'-PENTYL(1,1'-BIPHENYL)-4-CARBOXAMIDE
-
- Inchi: 1S/C18H21NO/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13H,2-5H2,1H3,(H2,19,20)
- InChI Key: QKZLRKYRAYGYOV-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC(=CC=1)C1C=CC(=CC=1)CCCCC)N
Computed Properties
- Exact Mass: 267.16243
- Monoisotopic Mass: 267.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 286
- 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
- XLogP3: 4.8
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- Density: 1.045
- Boiling Point: 433.5°C at 760 mmHg
- Flash Point: 215.9°C
- Refractive Index: 1.564
- PSA: 43.09
[1,1'-Biphenyl]-4-carboxamide,4'-pentyl- Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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