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Cas Database |
| Name |
L-Ornithine (3-methyl-2-oxopentanoate) |
EINECS | 276-325-9 |
| CAS No. | 72087-39-9 | Density | N/A |
| PSA | 143.71000 | LogP | 1.22400 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H22N2O5 | Boiling Point | 458.7 °C at 760 mmHg |
| Molecular Weight | 262.306 | Flash Point | 231.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(2S)-2,5-diaminopentanoic acid; 3-methyl-2-oxo-pentanoic acid;3-Methyl-2-oxopentanoic acid - L-ornithine (1:1);L-ornithine, compd. with 3-methyl-2-oxopentanoic acid (1:1); |
Article Data | 2 |
L-Ornithine (3-methyl-2-oxopentanoate) Specification
The L-Ornithine (3-methyl-2-oxopentanoate), with the CAS registry number 72087-39-9 and EINECS registry number 276-325-9, has the systematic name of (2S)-2,5-diaminopentanoic acid; 3-methyl-2-oxo-pentanoic acid. And the molecular formula of the chemical is C11H22N2O5.
The characteristics of L-Ornithine (3-methyl-2-oxopentanoate) are as followings: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 7; (3)#H bond donors: 6; (4)#Freely Rotating Bonds: 9; (5)Polar Surface Area: 143.71 Å2; (6)Flash Point: 231.2 °C; (7)Enthalpy of Vaporization: 78.79 kJ/mol; (8)Boiling Point: 458.7 °C at 760 mmHg; (9)Vapour Pressure: 1.1E-09 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: NCCC[C@H](N)C(O)=O.CC(CC)C(=O)C(O)=O
(2)InChI: InChI=1/C6H10O3.C5H12N2O2/c1-3-4(2)5(7)6(8)9;6-3-1-2-4(7)5(8)9/h4H,3H2,1-2H3,(H,8,9);4H,1-3,6-7H2,(H,8,9)/t;4-/m.0/s1
(3)InChIKey: CGVXSZLKWKYOMR-VWMHFEHEBH
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