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16142-09-9 | L-Lysine, phenylmethyl ester, dihydrochloride (9CI)
CAS No: 16142-09-9 Catalog No: AG001SGM MDL No:MFCD11501205
Product Description
Catalog Number:
AG001SGM
Chemical Name:
L-Lysine, phenylmethyl ester, dihydrochloride (9CI)
CAS Number:
16142-09-9
Molecular Formula:
C13H22Cl2N2O2
Molecular Weight:
309.2320
MDL Number:
MFCD11501205
IUPAC Name:
benzyl (2S)-2,6-diaminohexanoate;dihydrochloride
InChI:
InChI=1S/C13H20N2O2.2ClH/c14-9-5-4-8-12(15)13(16)17-10-11-6-2-1-3-7-11;;/h1-3,6-7,12H,4-5,8-10,14-15H2;2*1H/t12-;;/m0../s1
InChI Key:
JKVQJCVWGBIKPE-LTCKWSDVSA-N
SMILES:
NCCCC[C@@H](C(=O)OCc1ccccc1)N.Cl.Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
308.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
309.231g/mol
Monoisotopic Mass:
308.106g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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