Eicosanoic acid, compd. with morpholine (1:1)
- Iupac Name：icosanoic acid;morpholine
- CAS No.: 69847-51-4
- Molecular Weight：399.66
- Modify Date.: 2023-02-09 19:28
1. Names and Identifiers
- 1.1 Name
- Eicosanoic acid, compd. with morpholine (1:1)
- 1.2 Synonyms
ARACHIDIC ACID Arachidic acid,morpholine salt Eicosanoic acid,compd. with morpholine (1:1) Icosanoic acid - morpholine (1:1) MORPHOLINE
- 1.3 CAS No.
- 69847-51-4
- 1.4 CID
- 44151821
- 1.5 Molecular Formula
- C24H49NO3 (isomer)
- 1.6 Inchi
- InChI=1S/C20H40O2.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-3-6-4-2-5-1/h2-19H2,1H3,(H,21,22);5H,1-4H2
- 1.7 InChIkey
- GZNMENHFXPXDBK-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CCCCCCCCCCCCCCCCCCCC(=O)O.C1COCCN1
- 1.9 Isomers Smiles
- CCCCCCCCCCCCCCCCCCCC(=O)O.C1COCCN1
2. Properties
- 2.1 Precise Quality
- 399.37100
- 2.1 PSA
- 58.56000
- 2.1 logP
- 7.04770
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. Computational chemical data
- Molecular Weight: 399.66g/mol
- Molecular Formula: C24H49NO3
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 399.37124443
- Monoisotopic Mass: 399.37124443
- Complexity: 260
- Rotatable Bond Count: 18
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 58.6
- Heavy Atom Count: 28
- 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: 2
- CACTVS Substructure Key Fingerprint: AAADcfB6MAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQCAAACADhgAYCCALABgAIAACQCAAAAAAAAAAAAIEIAAACABIAAAADQAAEEACQAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Realated Product Infomation
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39756-32-6
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88542-82-9
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232600-70-3
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202480-70-4
EICOSANOIC-20,20,20-D3 ACID
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1219803-69-6
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818-24-6
Eicosanoic acid, 10-oxo-
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100209-27-6
Fatty acids, lanolin, compds. with morpholine manufg. distn. residues
skype