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- 0 of 2 defined stereocentres

Methyl 5-aminonorleucinate dihydrochloride

ChemSpider ID: 14764309
Molecular Formula: C₇H₁₈Cl₂N₂O₂
Average mass: 233.136002 Da
Monoisotopic mass: 232.074539 Da
Systematic name

Methyl 5-aminonorleucinate dihydrochloride
SMILES and InChIs

SMILES:

Cl.Cl.NC(CCC(C)N)C(=O)OC Copied

Std. InChI:

InChI=1S/C7H16N2O2.2ClH/c1-5(8)3-4-6(9)7(10)11-2;;/h5-6H,3-4,8-9H2,1-2H3;2*1H Copied

Std. InChIKey:

STPNHEGNWWJMTG-UHFFFAOYSA-N Copied
Cite this record
CSID:14764309, http://www.chemspider.com/Chemical-Structure.14764309.html (accessed 04:17, May 24, 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:	0
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	4	#H bond donors:	4
#Freely Rotating Bonds:	7	Polar Surface Area:	78.34 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	142 °C	Enthalpy of Vaporization:	56.31 kJ/mol
Boiling Point:	311.2 °C at 760 mmHg	Vapour Pressure:	0.000424 mmHg at 25°C

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