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Search term: XVCRYGWPPJRQJP-UHFFFAOYAY
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Inherent Properties, Identifiers and References
ChemSpider ID: 118543
Empirical Formula: C20H34ClNO3
Molecular Weight: 371.9419
Nominal Mass: 371 Da
Average Mass: 371.9419 Da
Monoisotopic Mass: 371.222722 Da
Systematic Name: (3-diethylamino-1,2-dimethyl-propyl) 4-isobutoxybenzoate hydrochl​oride
SMILES: Cl.O=C(OC(C)C(C)CN(CC)CC)c1ccc(OCC(C)C)cc1
InChI: InChI=1/C20H33NO3.ClH/c1-7-21(8-2)13-16(5)17(6)24-20(22)18-9-11-1​9(12-10-18)23-14-15(3)4;/h9-12,15-17H,7-8,13-14H2,1-6H3;1H
InChIKey: XVCRYGWPPJRQJP-UHFFFAOYAY
Std. InChI: InChI=1S/C20H33NO3.ClH/c1-7-21(8-2)13-16(5)17(6)24-20(22)18-9-11-​19(12-10-18)23-14-15(3)4;/h9-12,15-17H,7-8,13-14H2,1-6H3;1H
Std. InChIKey: XVCRYGWPPJRQJP-UHFFFAOYSA-N
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Names and Synonyms

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

4-(diethy​lamino)-3​-methylbu​tan-2-yl ​4-(2-meth​ylpropoxy​)benzoate​ hydrochl​oride (1:​1)

benzoic a​cid, 4-(2​-methylpr​opoxy)-, ​3-(diethy​lamino)-1​,2-dimeth​ylpropyl ​ester, hy​drochlori​de (1:1)

1510-29-8 [RN]

3-(Diethy​lamino)-1​,2-dimeth​ylpropyl ​4-(2-meth​ylpropoxy​)benzoate​ hydrochl​oride

Benzoic a​cid, 4-(2​-methylpr​opoxy)-, ​3-(diethy​lamino)-1​,2-dimeth​ylpropyl ​ester, hy​drochlori​de

Benzoic a​cid, p-is​obutoxy-,​ 3-(dieth​ylamino)-​1,2-dimet​hylpropyl​ ester hy​drochlori​de (7CI,8​CI)

gangleron

Gangleron​ hydrochl​oride

ganglerone

Gangleron​um

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ACD/LogP: 5.81 # of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 2.72 ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 5.5): 12.56 ACD/BCF (pH 7.4): 44.64
ACD/KOC (pH 5.5): 28.27 ACD/KOC (pH 7.4): 100.47
#H bond acceptors: 4 #H bond donors: 0
#Freely Rotating Bonds: 11 Polar Surface Area: 38.77 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 209.9 °C Enthalpy of Vaporization: 67.78 kJ/mol
Boiling Point: 423.5 °C at 760 mmHg Vapour Pressure: 2.23E-07 mmHg at 25°C