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4-[Bis(4-amino-3-methylphenyl)methylene]-2-methylcyclohexa-2,5-dien-1-iminium chloride

ChemSpider ID: 17578
Molecular Formula: C₂₂H₂₄ClN₃
Average mass: 365.899109 Da
Monoisotopic mass: 365.165863 Da
Systematic name

4-[Bis(4-amino-3-methylphenyl)methylene]-2-methyl-2,5-cyclohexadien-1-iminium chloride
SMILES and InChIs

SMILES:

[Cl-].C(=C\1/C=C\C(=[NH2+])/C(=C/1)C)(\c2ccc(N)c(c2)C)c3ccc(N)c(c3)C Copied

Std. InChI:

InChI=1S/C22H23N3.ClH/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;/h4-12,23H,24-25H2,1-3H3;1H Copied

Std. InChIKey:

IPSIPYMEZZPCPY-UHFFFAOYSA-N Copied
Cite this record
CSID:17578, http://www.chemspider.com/Chemical-Structure.17578.html (accessed 12:20, Jun 20, 2013) Copied

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

4,4'-[(4-Imino-3-methyl-2,5-cyclohexadien-1-ylidene)methylene]bis(2-methylaniline) hydrochloride (1:1)

4,4'-[(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methanediyl]bis(2-methylaniline) hydrochloride (1:1)

4,4'-[(4-Imino-3-methylcyclohexa-2,5-dien-1-ylidene)methylene]bis(2-methylaniline) hydrochloride (1:1)

4-[Bis(4-amino-3-methylphenyl)methylene]-2-methylcyclohexa-2,5-dien-1-iminium chloride

benzenamine, 4,4'-[(4-imino-3-methyl-2,5-cyclohexadien-1-ylidene)methylene]bis[2-methyl-, hydrochloride (1:1)

100359-07-7 [RN]

221-831-7 [EINECS]

3248-91-7 [RN]

4-((4-Amino-3-methylphenyl)(4-imino-3-methyl-2,5-cyclohexadien-1-ylid ene)methyl)-2-methylbenzenamine hydrochloride

4-((4-Amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl)-o-toluidine monohydrochloride

More...

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

72200_FLUKA [DBID]

C.I. 42520 [DBID]

CI 42520 [DBID]

NSC 9858 [DBID]

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Properties

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Data supplied by datasources and users.

Miscellaneous

Appearance:

solid Oxford University Chemical Safety Data http://msds.chem.ox.ac.uk/NE/new_fuchsin.html

Stability:

Stable. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data http://msds.chem.ox.ac.uk/NE/new_fuchsin.html

Safety:

Safety glasses, adequate ventilation. Oxford University Chemical Safety Data http://msds.chem.ox.ac.uk/NE/new_fuchsin.html

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	1.926	# of Rule of 5 Violations:	1
ACD/LogD (pH 5.5):	0.69	ACD/LogD (pH 7.4):	1.83
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	13.80
ACD/KOC (pH 5.5):	15.36	ACD/KOC (pH 7.4):	214.31
#H bond acceptors:	3	#H bond donors:	5
#Freely Rotating Bonds:	4	Polar Surface Area:	9.49 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	303.4 °C	Enthalpy of Vaporization:	86.53 kJ/mol
Boiling Point:	578.1 °C at 760 mmHg	Vapour Pressure:	2.31E-13 mmHg at 25°C

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4-[Bis(4-amino-3-methylphenyl)methylene]-2-methylcyclohexa-2,5-dien-1-iminium chloride

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4-[Bis(4-amino-3-methylphenyl)methylene]-2-methylcyclohexa-2,5-dien-1-iminium chloride

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