U-48800 RESEARCH CHEMICAL
- CAS No.: 67579-76-4
- Molecular Weight：357.32
- Modify Date.: 2022-10-30 19:48
1. Names and Identifiers
- 1.1 Name
- U-48800 RESEARCH CHEMICAL
- 1.2 Synonyms
U-48800 U-48800 U-49900 U48800 U49900 powder Skype : honestcooperation U48800 POWDER U-48800 RESEARCH CHEMICAL u48800, u-48800 U-49900 (CRM) U49900 47700
- 1.3 CAS No.
- 67579-76-4
- 1.4 CID
- 129392412
- 1.5 Molecular Formula
- C18H26Cl2N2O (isomer)
- 1.6 Inchi
- InChI=1S/C18H26Cl2N2O/c1-4-22(5-2)17-9-7-6-8-16(17)21(3)18(23)13-10-11-14(19)15(20)12-13/h10-12,16-17H,4-9H2,1-3H3/t16-,17-/m1/s1
- 1.7 InChIkey
- AXACJBKFKCCIOR-IAGOWNOFSA-N
- 1.8 Canonical Smiles
- CCN(CC)C1CCCCC1N(C)C(=O)C2=CC(=C(C=C2)Cl)Cl
- 1.9 Isomers Smiles
- CCN(CC)[C@@H]1CCCC[C@H]1N(C)C(=O)C2=CC(=C(C=C2)Cl)Cl
2. Properties
- 2.1 Density
- 1.18±0.1 g/cm3(Predicted)
- 2.1 Boiling point
- 487.4±45.0 °C(Predicted)
- 2.1 pKa
- 9.91±0.40(Predicted)
3. Computational chemical data
- Molecular Weight: 357.32g/mol
- Molecular Formula: C18H26Cl2N2O
- Compound Is Canonicalized: True
- XLogP3-AA: 4.7
- Exact Mass: 356.1422188
- Monoisotopic Mass: 356.1422188
- Complexity: 389
- Rotatable Bond Count: 5
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 23.6
- Heavy Atom Count: 23
- Defined Atom Stereocenter Count: 2
- 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: AAADceB7IAAGAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABAAAAHgIAAAAADCrBmCQyAIMAAACIAiFSEACCAAAkBQAIikEIBsgIYDKBlxGUIQhghgCIiYcYiACOBAAAIAAAAAQIAABAAAAASAAAAAAAAA==
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U-48800
- Purity:99%Packing: 200kg/bag FOB
- Price: 3050 USD/kg
- Time: 2023/09/28
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