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Dibucaine Hydrochloride

ChemSpider ID: 5853
Molecular Formula: C₂₀H₃₀ClN₃O₂
Average mass: 379.924103 Da
Monoisotopic mass: 379.202667 Da
Systematic name

2-{[(2-Butoxy-4-quinolinyl)carbonyl]amino}-N,N-diethylethanaminium chloride
SMILES and InChIs

SMILES:

[Cl-].O=C(c1c2ccccc2nc(OCCCC)c1)NCC[NH+](CC)CC Copied

Std. InChI:

InChI=1S/C20H29N3O2.ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);1H Copied

Std. InChIKey:

IVHBBMHQKZBJEU-UHFFFAOYSA-N Copied
Cite this record
CSID:5853, http://www.chemspider.com/Chemical-Structure.5853.html (accessed 02:08, May 26, 2012) Copied

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

2-Butoxy-N-[2-(diethylamino)ethyl]-4-quinolinecarboxamide hydrochloride (1:1)

2-Butoxy-N-[2-(diethylamino)ethyl]-4-quinolinecarboxamide Monohydrochloride

2-Butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide hydrochloride (1:1)

4-quinolinecarboxamide, 2-butoxy-N-[2-(diethylamino)ethyl]-, hydrochloride (1:1)

61-12-1 [RN]

benzolin

Benzolin (VAN)

Cincaine

Dibucaine Hydrochloride [JAN]

2-butoxy-n-(2-diethylaminoethyl)cinchoninamide hydrochloride

More...

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

C 3225 [DBID]

D02220 [DBID]

D0638_SIAL [DBID]

MLS000028429 [DBID]

SMR000058369 [DBID]

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Properties

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Data supplied by datasources and users.

miscellaneous

Appearance:

white powder Oxford University Chemical Safety Data

Stability:

Stable. Incompatible with strong oxidizing agents. Protect from moisture. Oxford University Chemical Safety Data

Toxicity:

IPR-RAT LD50 22 mg kg-1, SCU-RAT LD50 27 mg kg-1, IVN-RAT LD50 52 mg kg-1, ORL-BWD LD50 42 mg kg-1 Oxford University Chemical Safety Data

Safety:

Safety glasses, adequate ventilation. Oxford University Chemical Safety Data
Source:

synthetic

experimental physchem properties
- Melting Point:
  
  99 - 101 C Oxford University Chemical Safety Data

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

ACD/LogP:	3.084	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	0.03	ACD/LogD (pH 7.4):	0.93
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	1.00	ACD/KOC (pH 7.4):	7.88
#H bond acceptors:	5	#H bond donors:	1
#Freely Rotating Bonds:	10	Polar Surface Area:	42.43 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	254 °C	Enthalpy of Vaporization:	76.41 kJ/mol
Boiling Point:	496.3 °C at 760 mmHg	Vapour Pressure:	5.46E-10 mmHg at 25°C

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Dibucaine Hydrochloride

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Std. InChI:

Std. InChIKey:

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Dibucaine Hydrochloride

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