3',3'''-Bi-p-acetanisidide
- CAS No.: 23080-65-1
- Molecular Weight：328.362
- Modify Date.: 2022-10-27 04:44
1. Names and Identifiers
- 1.1 Name
- 3',3'''-Bi-p-acetanisidide
- 1.2 Synonyms
Acetamide, N,N'-(6,6'-dimethoxy[1,1'-biphenyl]-3,3'-diyl)bis- N,N'-(6,6'-Dimethoxy-3,3'-biphenyldiyl)diacetamide
- 1.3 CAS No.
- 23080-65-1
- 1.4 CID
- 125375790
- 1.5 Molecular Formula
- C18H20N2O4 (isomer)
- 1.6 Inchi
- InChI=1S/C18H20N2O4/c1-11(21)19-13-5-7-17(23-3)15(9-13)16-10-14(20-12(2)22)6-8-18(16)24-4/h5-10H,1-4H3,(H,19,21)(H,20,22)
- 1.7 InChIkey
- KDUPLDPISCJBAQ-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CC(=NC1=CC(=C(C=C1)OC)C2=C(C=CC(=C2)N=C(C)O)OC)O
CC(=O)Nc1ccc(c(c1)c2cc(ccc2OC)NC(=O)C)OC
- 1.9 Isomers Smiles
- CC(=O)NC1=CC(=C(C=C1)OC)C2=C(C=CC(=C2)NC(=O)C)OC
2. Properties
- 2.1 Density
- 1.2±0.1 g/cm3 (Predicted)
- 2.1 Boiling point
- 559.6±50.0 °C at 760 mmHg (Predicted)
- 2.1 Refractive index
- 1.606 (Predicted)
- 2.1 Flash Point
- 292.2±30.1 °C (Predicted)
- 2.1 logP
- 1.23 (Predicted)
3. Computational chemical data
- Molecular Weight: 328.362 g/mol
- Molecular Formula: C18H20N2O4
- Compound Is Canonicalized: True
- XLogP3-AA: 1.8
- Exact Mass: 328.14230712
- Monoisotopic Mass: 328.14230712
- Complexity: 403
- Rotatable Bond Count: 5
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 76.7
- Heavy Atom Count: 24
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAADAyBmAIyxoLABACIAiVSUACCCAAhIgAIiAAGbIgMJiLEsZuEMChk1BHI6Afw0OMOgEAAQAAIAAAAgACAABAAAAAAAAAAAA==
5. Realated Product Infomation
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