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72087-38-8

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Basic Information
CAS No.: 72087-38-8
Name: L-Ornithine (3-methyl-2-oxobutyrate)
Article Data: 2
Molecular Structure:
Molecular Structure of 72087-38-8 (L-Ornithine (3-methyl-2-oxobutyrate))
Formula: C10H20N2O5
Molecular Weight: 248.279
Synonyms: 3-Methyl-2-oxobutanoic acid - L-ornithine (1:1);
EINECS: 276-324-3
Boiling Point: 449.2 °C at 760 mmHg
Flash Point: 225.4 °C
PSA: 143.71000
LogP: 0.83390
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Specification

The L-Ornithine (3-methyl-2-oxobutyrate), with the CAS registry number of 72087-38-8, is also known as 3-Methyl-2-oxobutanoic acid - L-ornithine (1:1). Its EINECS registry number is 276-324-3. Its molecular formula is C10H20N2O5 and molecular weight is 248.2762. What's more, its systematic name is (2S)-2,5-Diaminopentanoic acid; 3-methyl-2-oxo-butanoic acid.

Physical properties about the L-Ornithine (3-methyl-2-oxobutyrate) are: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 7; (3)#H bond donors: 6; (4)#Freely Rotating Bonds: 8; (5)Polar Surface Area: 143.71 Å2; (6)Flash Point: 225.4 °C; (7)Enthalpy of Vaporization: 77.59 kJ/mol; (8)Boiling Point: 449.2 °C at 760 mmHg; (9)Vapour Pressure: 2.55E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: NCCC[C@H](N)C(O)=O.CC(C)C(=O)C(O)=O
(2) InChI: InChI=1/C5H12N2O2.C5H8O3/c6-3-1-2-4(7)5(8)9;1-3(2)4(6)5(7)8/h4H,1-3,6-7H2,(H,8,9);3H,1-2H3,(H,7,8)/t4-;/m0./s1
(3) InChIKey: IUQCXXQQMQULHI-WCCKRBBIBN