CSID:14850027 | C8H13ClN | ChemSpider

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- Charge
- 0 of 1 defined stereocentres

ChemSpider ID: 14850027
Molecular Formula: C₈H₁₃ClN
Average mass: 158.647995 Da
Monoisotopic mass: 158.073105 Da
Systematic name
SMILES and InChIs

SMILES:

Cl.[NH3+]C(C)c1ccccc1 Copied

Std. InChI:

InChI=1S/C8H11N.ClH/c1-7(9)8-5-3-2-4-6-8;/h2-7H,9H2,1H3;1H/p+1 Copied

Std. InChIKey:

YEHGSOZIZRABBU-UHFFFAOYSA-O Copied
Cite this record
CSID:14850027, http://www.chemspider.com/Chemical-Structure.14850027.html (accessed 04:31, 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:	1.436	# 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:	1	#H bond donors:	2
#Freely Rotating Bonds:	2	Polar Surface Area:	27.64 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	90.2 °C	Enthalpy of Vaporization:	47.14 kJ/mol
Boiling Point:	225.5 °C at 760 mmHg	Vapour Pressure:	0.0704 mmHg at 25°C

Click to predict properties on the Chemicalize site

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