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ChemSpider ID: 8371
Molecular Formula: C₁₅H₂₅ClN₂O₂
Monoisotopic mass: 300.160461 Da
Systematic name

2-(Dimethylamino)ethyl 4-(butylamino)benzoate hydrochloride (1:1)
SMILES and InChIs

SMILES:

Cl.O=C(OCCN(C)C)c1ccc(NCCCC)cc1 Copied

Std. InChI:

InChI=1S/C15H24N2O2.ClH/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;/h6-9,16H,4-5,10-12H2,1-3H3;1H Copied

Std. InChIKey:

PPWHTZKZQNXVAE-UHFFFAOYSA-N Copied

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

2-(dimethylamino)ethyl 4-(butylamino)benzoate hydrochloride

2-(Dimethylamino)ethyl 4-(butylamino)benzoate hydrochloride (1:1) [ACD/IUPAC Name]

2-dimethylaminoethyl 4-n-butylaminobenzoate hydrochloride

4-(Butylamino)benzoic Acid 2-(Dimethylamino)ethyl Ester Hydrochloride

benzoic acid, 4-(butylamino)-, 2-(dimethylamino)ethyl ester, hydrochloride (1:1)

Dicain

leocaine

Tetocaine

Tetracaine hydrochloride

136-47-0 [RN]

More...

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

D00741 [DBID]

EU-0101211 [DBID]

MLS000069780 [DBID]

SMR000058522 [DBID]

T3937_SIAL [DBID]

T7508_SIAL [DBID]

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Properties

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Data supplied by datasources and users.

predicted physchem properties
- Melting Point: 149
  - units: deg C

miscellaneous
- Source: synthetic

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

ACD/LogP:	3.649	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	0.96	ACD/LogD (pH 7.4):	2.61
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	32.17
ACD/KOC (pH 5.5):	4.74	ACD/KOC (pH 7.4):	211.91
#H bond acceptors:	4	#H bond donors:	1
#Freely Rotating Bonds:	9	Polar Surface Area:	32.78 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	189.3 °C	Enthalpy of Vaporization:	63.87 kJ/mol
Boiling Point:	389.4 °C at 760 mmHg	Vapour Pressure:	2.87E-06 mmHg at 25°C

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Toxicology/Environmental Databases	Virtual Library

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