Cas no 6833-04-1 (Heptanediamide, N,N'-diphenyl-)
6833-04-1 structure
Product Name:Heptanediamide, N,N'-diphenyl-
CAS No:6833-04-1
MF:C19H22N2O2
MW:310.390184879303
CID:393366
PubChem ID:9543542
Update Time:2025-04-19
Heptanediamide, N,N'-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- Heptanediamide, N,N'-diphenyl-
- DTXSID40429498
- SCHEMBL1065393
- BDBM50482568
- CHEMBL1221695
- 6833-04-1
-
- Inchi： 1S/C19H22N2O2/c22-18(20-16-10-4-1-5-11-16)14-8-3-9-15-19(23)21-17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,20,22)(H,21,23)
- InChI Key： NVHLNGQWLBFXBX-UHFFFAOYSA-N
- SMILES： O=C(CCCCCC(NC1C=CC=CC=1)=O)NC1C=CC=CC=1
Computed Properties
- Exact Mass: 310.16826
- Monoisotopic Mass: 310.168127949g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 8
- Complexity: 324
- 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: 3.2
- Topological Polar Surface Area: 58.2?2
Experimental Properties
- PSA: 58.2
Heptanediamide, N,N'-diphenyl- Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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