CSID:15366570 | C10H15ClN | ChemSpider

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ChemSpider ID: 15366570
Molecular Formula: C₁₀H₁₅ClN
Average mass: 184.686295 Da
Monoisotopic mass: 184.089844 Da
Systematic name
SMILES and InChIs

SMILES:

[Cl-].CNCCCc1ccccc1 Copied

Std. InChI:

InChI=1S/C10H15N.ClH/c1-11-9-5-8-10-6-3-2-4-7-10;/h2-4,6-7,11H,5,8-9H2,1H3;1H/p-1 Copied

Std. InChIKey:

XKHCUFJKGWJLNO-UHFFFAOYSA-M Copied
Cite this record
CSID:15366570, http://www.chemspider.com/Chemical-Structure.15366570.html (accessed 05:48, 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:
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:	1	#H bond donors:	1
#Freely Rotating Bonds:	4	Polar Surface Area:	12.03 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	kJ/mol
Boiling Point:	°C at 760 mmHg	Vapour Pressure:	mmHg at 25°C

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