Chemical Properties of L-Citrulline, N,N'-bis(dimethylaminomethylene)-, methyl ester (CAS 59824-38-3)

InChI

InChI=1S/C13H25N5O3/c1-17(2)9-15-11(12(19)21-5)7-6-8-14-13(20)16-10-18(3)4/h9-11H,6-8H2,1-5H3,(H,14,20)

InChI Key

ZLRCGUYJYWKIIV-UHFFFAOYSA-N

Formula

C13H25N5O3

SMILES

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

Molecular Weight¹

299.37

CAS

59824-38-3

Other Names

• l-Ornithine, N2-[(dimethylamino)methylene]-N5-[[[(dimethylamino)methylene]amino]carbonyl]-, methyl ester

• 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	-321.34	kJ/mol	Joback Calculated Property
ΔvapH°	77.20	kJ/mol	Joback Calculated Property
log10WS	-0.64		Crippen Calculated Property
logPoct/wat	0.198		Crippen Calculated Property
McVol	244.340	ml/mol	McGowan Calculated Property
Pc	1537.87	kPa	Joback Calculated Property
Inp	[2587.00; 2587.00]
Inp	2587.00		NIST
Inp	2587.00		NIST
Tboil	854.97	K	Joback Calculated Property
Tc	1061.32	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Citrulline, N,N'-bis(dimethylaminomethylene)-, methyl ester.

Sources

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

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