$ChemSpider 2D Image | N-(4-{[4-(Diethylamino)phenyl](phenyl)methyliden}cyclohexa-2,5-dien-1-yliden)-N-ethylethanaminiumhydrogen-_sulfat | C27H34N2O4S$

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N-(4-{[4-(Diethylamino)phenyl](phenyl)methyliden}cyclohexa-2,5-dien-1-yliden)-N-ethylethanaminiumhydrogen-_sulfat

ChemSpider ID: 11941
Molecular Formula: C₂₇H₃₄N₂O₄S
Average mass: 482.634888 Da
Monoisotopic mass: 482.223938 Da
Systematic name

4-{[4-(Diethylamino)phenyl](phenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium hydrogen sulfate
SMILES and InChIs

SMILES:

[O-]S(=O)(=O)O.[N+](=C/1\C=C/C(C=C\1)=C(/c2ccccc2)c3ccc(N(CC)CC)cc3)(\CC)CC Copied

Std. InChI:

InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1 Copied

Std. InChIKey:

NNBFNNNWANBMTI-UHFFFAOYSA-M Copied
Cite this record
CSID:11941, http://www.chemspider.com/Chemical-Structure.11941.html (accessed 06:15, May 22, 2013) Copied

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

633-03-4 [RN]

N-(4-{[4-(Diethylamino)phenyl](phenyl)methylene}-2,5-cyclohexadien-1-ylidene)-N-ethylethanaminium hydrogen sulfate

N-(4-{[4-(Diethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium hydrogen sulfate

N-(4-{[4-(Diethylamino)phenyl](phenyl)methyliden}cyclohexa-2,5-dien-1-yliden)-N-ethylethanaminiumhydrogen-_sulfat

N-(4-{[4-(diethylamino)phenyl](phenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium hydrogen sulfate

(4-(4-(Diethylamino)benzhydrylene)cyclohexa-2,5-dien-1-ylidene)diethylammonium hydrogen sulphate

[4-[4-(diethylamino)benzhydrylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium hydrogen sulphate

12002-03-8 [RN]

12415 Green

14855-76-6 [RN]

More...

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

16020_FLUKA [DBID]

28604_RIEDEL [DBID]

B4014_SIGMA [DBID]

B6756_SIGMA [DBID]

C.I. 42040 [DBID]

CCRIS 1209 [DBID]

CI 42040 [DBID]

HSDB 6403 [DBID]

NSC 5011 [DBID]

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Properties

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Data supplied by datasources and users.

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  210 C (210 °C) (Decomposes) Oxford University Chemical Safety Data

Miscellaneous

Appearance:

metallic green crystals Oxford University Chemical Safety Data

Stability:

Stable. Incompatible with strong oxidizing agents, reducing agents. Oxford University Chemical Safety Data

Toxicity:

ORL-RAT LD50 313 mg kg-1 Oxford University Chemical Safety Data
Safety:

Safety glasses. Do not breathe dust. Oxford University Chemical Safety Data

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:	2	#H bond donors:	0
#Freely Rotating Bonds:	7	Polar Surface Area:	6.25 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

Click to predict properties on the Chemicalize site

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Toxicology/Environmental Databases	Virtual Library

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N-(4-{[4-(Diethylamino)phenyl](phenyl)methyliden}cyclohexa-2,5-dien-1-yliden)-N-ethylethanaminiumhydrogen-_sulfat

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Std. InChI:

Std. InChIKey:

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N-(4-{[4-(Diethylamino)phenyl](phenyl)methyliden}cyclohexa-2,5-dien-1-yliden)-N-ethylethanaminiumhydrogen-_sulfat

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