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Inherent Properties, Identifiers and References

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ChemSpider ID:	10891
Empirical Formula:	C₁₀H₁₅N
Molecular Weight:	149.2328
Nominal Mass:	149 Da
Average Mass:	149.2328 Da
Monoisotopic Mass:	149.120449 Da

Quick Links: Permalink Similar Isomers

Systematic Name:

SMILES:

CCc1cccc(CC)c1N

InChI:

InChIKey:

-

Details...

Associated Data Sources and Commercial Suppliers

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Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

2,6-Diethyl aniline

2,6-diethylaniline

2,6-Diethylbenzenamine

209-445-7 [EINECS/ELINCS]

4-12-00-02841

579-66-8 [RN]

Aniline, 2,6-diethyl-

Benzenamine, 2,6-diethyl-

Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

(Details...)

Predicted Properties

LogP:	ACD/LogP: 2.92 ALOGPS: 2.86	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	2.9	ACD/LogD (pH 7.4):	2.92
ACD/BCF (pH 5.5):	93.4	ACD/BCF (pH 7.4):	97.34
ACD/KOC (pH 5.5):	884.77	ACD/KOC (pH 7.4):	922.07
#H bond acceptors:	1	#H bond donors:	2
#Freely Rotating Bonds:	3	Polar Surface Area:	26.02 Å²
Index of Refraction:	1.542	Molar Refractivity:	49.58 cm³
Molar Volume:	157.3 cm³	Polarizability:	19.65 10^-24cm³
Surface Tension:	36.3 dyne/cm	Density:	0.948 g/cm³
Flash Point:	123.3 °C	Enthalpy of Vaporization:	48.13 kJ/mol
Boiling Point:	244.3 °C at 760 mmHg	Vapour Pressure:	0.0307 mmHg at 25°C

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