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L-Lysine methyl ester 2HCl

CAT: 0926-FL10769-01Size: 0.5 KgDry Ice: NoHazardous: No
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CAT#:0926-FL10769-01Size:0.5 Kg
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CAS Number
26348-70-9
MDL Number
MFCD00039067
Smiles
COC (=O) [C@H] (CCCCN) N.Cl.Cl
Molecular Formula
C7H16N2O2·2HCl
Molecular Weight
233.14 g/mol
Controlled
No

Chemical Information

Methyl L-lysinate dihydrochloride
CAS Number26348-70-9
PubChem CID117778
IUPAC Namemethyl (2S)-2,6-diaminohexanoate;dihydrochloride
Molecular FormulaC7H18Cl2N2O2
Molecular Weight233.13
Topological Polar Surface Area78.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count13
Formal Charge0
Complexity117
SMILES
COC(=O)[C@H](CCCCN)N.Cl.Cl
InChI
InChI=1S/C7H16N2O2.2ClH/c1-11-7(10)6(9)4-2-3-5-8;;/h6H,2-5,8-9H2,1H3;2*1H/t6-;;/m0../s1
InChIKey
SXZCBVCQHOJXDR-ILKKLZGPSA-N
Chemical Structure
2D Structure
2D structure of Methyl L-lysinate dihydrochloride
CAS: 26348-70-9
CID: 117778
Formula: C7H18Cl2N2O2
MW: 233.13
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight233.13
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass232.0745332
Monoisotopic Mass232.0745332
Topological Polar Surface Area78.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity117
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes