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78000-30-3

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Basic Information
CAS No.: 78000-30-3
Name: L-Lysine mono(3-methyl-2-oxobutyrate)
Molecular Structure:
Molecular Structure of 78000-30-3 (L-Lysine mono(3-methyl-2-oxobutyrate))
Formula: C11H22N2O5
Molecular Weight: 262.30278
Synonyms: L-lysine mono(3-methyl-2-oxobutyrate)
EINECS: 278-810-0
Boiling Point: 457.8 °C at 760 mmHg
Flash Point: 230.7 °C
PSA: 143.71000
LogP: 1.22400
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Specification

The L-Lysine mono(3-methyl-2-oxobutyrate) has CAS registry number 78000-30-3. Its EINECS registry number is 278-810-0. Its molecular formula is C11H22N2O5 and molecular weight is 262.30278. What's more, its systematic name is (2S)-2,6-Diaminohexanoic acid; 3-methyl-2-oxo-butanoic acid.

Physical properties about the L-Lysine mono(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: 9; (5)Polar Surface Area: 143.71 Å2; (6)Flash Point: 230.7 °C; (7)Enthalpy of Vaporization: 78.69 kJ/mol; (8)Boiling Point: 457.8 °C at 760 mmHg; (9)Vapour Pressure: 1.18E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N[C@@H](CCCCN)C(O)=O.CC(C)C(=O)C(O)=O
(2) InChI: InChI=1/C6H14N2O2.C5H8O3/c7-4-2-1-3-5(8)6(9)10;1-3(2)4(6)5(7)8/h5H,1-4,7-8H2,(H,9,10);3H,1-2H3,(H,7,8)/t5-;/m0./s1
(3) InChIKey: VRFAQQYAKWMFLR-JEDNCBNOBD