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CAS No.: | 40216-82-8 |
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Name: | Methyl L-ornithine dihydrochloride |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C6H16Cl2N2O2 |
Molecular Weight: | 219.111 |
Synonyms: | L-Ornithine, methyl ester, dihydrochloride(9CI);Ornithine, methyl ester, dihydrochloride,L- (7CI);H-Orn-Ome·2HCl;H-Orn-OMec2HCl; |
EINECS: | 254-841-5 |
Boiling Point: | 300.9 °C at 760 mmHg |
Flash Point: | 135.8 °C |
PSA: | 78.34000 |
LogP: | 2.23020 |
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The L-Ornithine, methyl ester, hydrochloride (1:2), with the CAS registry number 40216-82-8, is also known as Methyl L-ornithine dihydrochloride. It belongs to the product categories of Ornithine [Org]; Amino Acids and Derivatives; Amino Hydrochloride. Its EINECS registry number is 254-841-5. This chemical's molecular formula is C6H16Cl2N2O2 and molecular weight is 219.11. What's more, its systematic name is called Methyl D-ornithinate dihydrochloride.
Physical properties about L-Ornithine, methyl ester, hydrochloride (1:2) are: (1) # of Rule of 5 Violations: 0; (2) #H bond acceptors: 4; (3) #H bond donors: 4; (4) #Freely Rotating Bonds: 7; (5) Polar Surface Area: 32.78 Å2; (6) Flash Point: 135.8 °C; (7) Enthalpy of Vaporization: 55.18 kJ/mol; (8) Boiling Point: 300.9 °C at 760 mmHg; (9) Vapour Pressure: 0.000816 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cl.O=C(OC)[C@H](N)CCCN
(2) InChI: InChI=1/C6H14N2O2.2ClH/c1-10-6(9)5(8)3-2-4-7;;/h5H,2-4,7-8H2,1H3;2*1H/t5-;;/m1../s1
(3) InChIKey: SNFZNVWAQDVFAK-ZJIMSODOBD