Chemical Properties of N(2),N(6)-Bis(dimethylaminomethylene)lysine methyl ester (CAS 70102-41-9)

InChI

InChI=1S/C13H26N4O2/c1-16(2)10-14-9-7-6-8-12(13(18)19-5)15-11-17(3)4/h10-12H,6-9H2,1-5H3/t12-/m1/s1

InChI Key

VRYPGRZLBVMBCT-GFCCVEGCSA-N

Formula

C13H26N4O2

SMILES

COC(=O)C(CCCCN=CN(C)C)N=CN(C)C

Molecular Weight¹

270.37

CAS

70102-41-9

Other Names

• L-Lysine, N,N'-bis(dimethylaminomethylene)-, methyl ester
• Methyl 6-([(E)-(dimethylamino)methylidene]amino)-2-([(Z)-(dimethylamino)methylidene]amino)hexanoate

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-262.23	kJ/mol	Joback Calculated Property
ΔvapH°	64.01	kJ/mol	Joback Calculated Property
log10WS	-0.70		Crippen Calculated Property
logPoct/wat	0.878		Crippen Calculated Property
McVol	232.790	ml/mol	McGowan Calculated Property
Pc	1450.14	kPa	Joback Calculated Property
Inp	[2003.00; 2003.00]
Inp	2003.00		NIST
Inp	2003.00		NIST
Tboil	750.93	K	Joback Calculated Property
Tc	947.06	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to N(2),N(6)-Bis(dimethylaminomethylene)lysine methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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