Dodecanamide, N,N-1,2-ethanediylbis-
- Iupac Name：N-[2-(dodecanoylamino)ethyl]dodecanamide
- CAS No.: 7003-56-7
- Molecular Weight：424.714
- Modify Date.: 2022-11-29 03:22
1. Names and Identifiers
- 1.1 Name
- Dodecanamide, N,N-1,2-ethanediylbis-
- 1.2 Synonyms
Dodecanamide, N,N-1,2-ethanediylbis- N,N'-(1,2-Ethanediyl)bis(dodecanamide) N,N'-(1,2-Ethanediyl)bis(lauric amide) N,N'-Ethylenebis(lauric amide) N,N'-Ethylenebisdodecanamide
- 1.3 CAS No.
- 7003-56-7
- 1.4 CID
- 224773
- 1.5 Molecular Formula
- C26H52N2O2 (isomer)
- 1.6 Inchi
- InChI=1S/C26H52N2O2/c1-3-5-7-9-11-13-15-17-19-21-25(29)27-23-24-28-26(30)22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,29)(H,28,30)
- 1.7 InChIkey
- HETBCUMLBCUVKC-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC
- 1.9 Isomers Smiles
- CCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC
2. Properties
- 2.1 Density
- 0.904
- 2.1 Melting point
- 159.7 °C(Solv: ethanol (64-17-5))
- 2.1 Boiling point
- 603.9°C at 760 mmHg
- 2.1 Refractive index
- 1.464
- 2.1 Flash Point
- 141.1°C
- 2.1 PSA
- 58.20000
- 2.1 logP
- 8.62 (Predicted)
- 2.1 pKa
- 15.53±0.46(Predicted)
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Synthesis Route
7003-56-7Total: 4 Synthesis Route
6. Computational chemical data
- Molecular Weight: 424.714g/mol
- Molecular Formula: C26H52N2O2
- Compound Is Canonicalized: True
- XLogP3-AA: 9.2
- Exact Mass: 424.40287891
- Monoisotopic Mass: 424.40287891
- Complexity: 349
- Rotatable Bond Count: 23
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 58.2
- Heavy Atom Count: 30
- 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: AAADcfB7MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACADBgAQCAALAAAAIAAEQEAAAAAAAAAAAAIEIAAAAQBIAgAAUAAAAFgCAAAEYiICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Recommended Suppliers
8. Realated Product Infomation
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