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| CAS No.: | 84772-29-2 |
|---|---|
| Name: | Ethyl L-ornithine dihydrochloride |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H18Cl2N2O2 |
| Molecular Weight: | 233.138 |
| Synonyms: | L-Ornithine ethyl ester dihydrochloride;L-Ornithine, ethylester, dihydrochloride (9CI); |
| EINECS: | 283-859-6 |
| Appearance: | White Or Almost white Crystalline Powder |
| PSA: | 78.34000 |
| LogP: | 1.81830 |
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Specification
1. Introduction of Ethyl L-ornithine dihydrochloride
The Ethyl L-ornithine dihydrochloride, with the CAS registry number 84772-29-2, is also known as Ethyl L-ornithine dihydrochloride. Its EINECS registry number is 283-859-6. What's more, both its IUPAC name and systematic name are the same which is called Ethyl (2S)-2,5-diaminopentanoate dihydrochloride.
2. Physical properties of Ethyl L-ornithine dihydrochloride
Properties Computed from Structure about Ethyl L-ornithine dihydrochloride are: (1) H-Bond Donor: 4; (2) H-Bond Acceptor: 4; (3) Rotatable Bond Count: 6; (4) Exact Mass: 232.074533; (5) MonoIsotopic Mass: 232.074533; (6) Topological Polar Surface Area: 78.3; (7) Heavy Atom Count: 13 (8) Formal Charge: 0; (9) Complexity: 1 17; (10) Isotope Atom Count: 0; (11) Defined Atom StereoCenter Count: 1; (12) Undefined Atom StereoCenter Count: 0; (13) Defined Bond StereoCenter Count: 0; (14) Undefined Bond StereoCenter Count: 0; (15) Covalently-Bonded Unit Count: 3.
3. Structure Descriptors of Ethyl L-ornithine dihydrochloride
You could convert the following datas into the molecular structure:
(1) SMILES: CCOC(=O)[C@H](CCCN)N.Cl.Cl
(2) InChI: InChI=1/C7H16N2O2.2ClH/c1-2-11-7(10)6(9)4-3-5-8;;/h6H,2-5,8-9H2,1H3;2*1H/t6-;;/m0../s1
(3) InChIKey: FGDABGPSQJJTDH-ILKKLZGPBR