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Ethyl carbamate - dicarbonimidic diamide (1:1)

ChemSpider ID: 13621801
Molecular Formula: C₅H₁₂N₄O₄
Average mass: 192.173203 Da
Monoisotopic mass: 192.085861 Da
Systematic name

Ethyl carbamate - dicarbonimidic diamide (1:1)
SMILES and InChIs

SMILES:

O=C(N)NC(N)=O.NC(=O)OCC Copied

Std. InChI:

InChI=1S/C3H7NO2.C2H5N3O2/c1-2-6-3(4)5;3-1(6)5-2(4)7/h2H2,1H3,(H2,4,5);(H5,3,4,5,6,7) Copied

Std. InChIKey:

LBXIXEUYZLXLBA-UHFFFAOYSA-N Copied
Cite this record
CSID:13621801, http://www.chemspider.com/Chemical-Structure.13621801.html (accessed 23:56, May 23, 2012) Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:		# of Rule of 5 Violations:	1
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	1.35	ACD/KOC (pH 7.4):	1.35
#H bond acceptors:	8	#H bond donors:	7
#Freely Rotating Bonds:	2	Polar Surface Area:	150.53 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	220.6 °C	Enthalpy of Vaporization:	69.85 kJ/mol
Boiling Point:	441.2 °C at 760 mmHg	Vapour Pressure:	5.55E-08 mmHg at 25°C

Click to predict properties on the Chemicalize site

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