CSID:14212923 | C8H11ClN | ChemSpider

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ChemSpider ID: 14212923
Molecular Formula: C₈H₁₁ClN
Average mass: 156.633194 Da
Monoisotopic mass: 156.058548 Da
Systematic name
SMILES and InChIs

SMILES:

[Cl-].NCCc1ccccc1 Copied

Std. InChI:

InChI=1S/C8H11N.ClH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H/p-1 Copied

Std. InChIKey:

SKHIBNDAFWIOPB-UHFFFAOYSA-M Copied
Cite this record
CSID:14212923, http://www.chemspider.com/Chemical-Structure.14212923.html (accessed 02:28, 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:	2
#Freely Rotating Bonds:	3	Polar Surface Area:	26.02 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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