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Search term: SXZCBVCQHOJXDR-ILKKLZGPBX
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Inherent Properties, Identifiers and References
ChemSpider ID: 105255
Empirical Formula: C7H18Cl2N2O2
Molecular Weight: 233.136
Nominal Mass: 232 Da
Average Mass: 233.136 Da
Monoisotopic Mass: 232.074533 Da
Systematic Name: methyl (2S)-2,6-diaminohexanoate dihydrochloride
SMILES: Cl.Cl.O=C(OC)[C@@H](N)CCCCN
InChI: InChI=1/C7H16N2O2.2ClH/c1-11-7(10)6(9)4-2-3-5-8;;/h6H,2-5,8-9H2,1​H3;2*1H/t6-;;/m0../s1
InChIKey: SXZCBVCQHOJXDR-ILKKLZGPBX
Std. 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
Std. InChIKey: SXZCBVCQHOJXDR-ILKKLZGPSA-N
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User Data

  • experimental physchem properties
    • Melting Point: 213-215
  • miscellaneous
    • Safety: CAUTION: May irritate eyes, skin, and respiratory tract
Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

251-794-2 [EINECS/ELINCS]

L-Lysine,​ methyl e​ster, dih​ydrochlor​ide

L-lysine,​ methyl e​ster, hyd​rochlorid​e (1:2)

Methyl L-​lysinate ​dihydroch​loride

(S)-2,6-D​iaminohex​anoic aci​d methyl ​ester dih​ydrochlor​ide

247-625-7 [EINECS/ELINCS]

26348-70-9 [RN]

34015-48-0 [RN]

H-Lys-OMe​.2HCl

methyl DL​-lysinate​ dihydroc​hloride

ACD/LogP: -0.84 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -4.89 ACD/LogD (pH 7.4): -3.94
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1 ACD/KOC (pH 7.4): 1
#H bond acceptors: 4 #H bond donors: 4
#Freely Rotating Bonds: 8 Polar Surface Area: 32.78 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 93.5 °C Enthalpy of Vaporization: 48.09 kJ/mol
Boiling Point: 243.9 °C at 760 mmHg Vapour Pressure: 0.0313 mmHg at 25°C