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Benzindamine Hydrochloride

ChemSpider ID: 58917
Molecular Formula: C₁₉H₂₄ClN₃O
Average mass: 345.866394 Da
Monoisotopic mass: 345.160797 Da
Systematic name

3-[(1-Benzyl-1H-indazol-3-yl)oxy]-N,N-dimethyl-1-propanamine hydrochloride (1:1)
SMILES and InChIs

SMILES:

Cl.n2c(OCCCN(C)C)c1ccccc1n2Cc3ccccc3 Copied

Std. InChI:

InChI=1S/C19H23N3O.ClH/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H Copied

Std. InChIKey:

HNNIWKQLJSNAEQ-UHFFFAOYSA-N Copied
Cite this record
CSID:58917, http://www.chemspider.com/Chemical-Structure.58917.html (accessed 14:54, Jun 19, 2013) Copied

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

1-Benzyl-3g-dimethylaminopropoxy-1H-indazole Hydrochloride

1-propanamine, N,N-dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-, hydrochloride (1:1)

3-[(1-Benzyl-1H-indazol-3-yl)oxy]-N,N-dimethyl-1-propanamine hydrochloride (1:1) [ACD/IUPAC Name]

3-[(1-Benzyl-1H-indazol-3-yl)oxy]-N,N-dimethylpropan-1-amine hydrochloride (1:1)

Benzindamine Hydrochloride

132-69-4 [RN]

1-benzyl-3-(3-(dimethylamino)propoxy)-1h-indazole hydrochloride

1-Benzyl-3-(3-(dimethylamino)propoxy)-1H-indazole monohydrochloride

1-Benzyl-3-(3-[dimethylamino]propoxy)-1H-indazole

1-Benzyl-3-γ-dimethylaminopropoxy-1H-indazole hydrochloride

More...

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

AF 864 [DBID]

B5524_SIGMA [DBID]

D01410 [DBID]

Prestwick_403 [DBID]

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Properties

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Data supplied by datasources and users.

Miscellaneous

Therapeutical Effect:

analgesic, antipyretic, antiinflammatory Rudolf Boehm Institute [01505975]

Compound Source:

synthetic; AF-864 Rudolf Boehm Institute [01505975]

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

ACD/LogP:	3.476	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	0.45	ACD/LogD (pH 7.4):	1.56
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	3.15
ACD/KOC (pH 5.5):	1.74	ACD/KOC (pH 7.4):	22.64
#H bond acceptors:	4	#H bond donors:	0
#Freely Rotating Bonds:	7	Polar Surface Area:	30.29 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	240.7 °C	Enthalpy of Vaporization:	73.77 kJ/mol
Boiling Point:	474.4 °C at 760 mmHg	Vapour Pressure:	3.64E-09 mmHg at 25°C

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Benzindamine Hydrochloride

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Std. InChI:

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Benzindamine Hydrochloride

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