Cas no 127488-93-1 (DL-Lysine-6-13C dihydrochloride)
127488-93-1 structure
Product Name:DL-Lysine-6-13C dihydrochloride
CAS No:127488-93-1
MF:C6H16Cl2N2O2
MW:220.102094650269
CID:897521
Update Time:2023-08-02
DL-Lysine-6-13C dihydrochloride Chemical and Physical Properties
Names and Identifiers
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- DL-LYSINE-6-13C 2HCL
- DL-Lysine-6-13C dihydrochloride
- DL-Lysine-6-13C dihydrochloride
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- Inchi： 1S/C6H14N2O2.2ClH/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);2*1H/i4+1;;
- InChI Key： JBBURJFZIMRPCZ-KBPZJAOKSA-N
- SMILES： Cl.Cl.OC(C(CCC[13CH2]N)N)=O
Computed Properties
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 106
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 89.3
Experimental Properties
- Melting Point: 190?°C(lit.)
DL-Lysine-6-13C dihydrochloride Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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