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Search term: FEQRJVHEMSQPFZ-UHFFFAOYAN
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Inherent Properties, Identifiers and References
ChemSpider ID: 103298
Empirical Formula: C20H26ClNO2
Molecular Weight: 347.8789
Nominal Mass: 347 Da
Average Mass: 347.8789 Da
Monoisotopic Mass: 347.165207 Da
Systematic Name: methyl 4-dimethylamino-2,2-diphenyl-pentanoate hydrochloride
SMILES: Cl.O=C(OC)C(c1ccccc1)(c2ccccc2)CC(N(C)C)C
InChI: InChI=1/C20H25NO2.ClH/c1-16(21(2)3)15-20(19(22)23-4,17-11-7-5-8-1​2-17)18-13-9-6-10-14-18;/h5-14,16H,15H2,1-4H3;1H
InChIKey: FEQRJVHEMSQPFZ-UHFFFAOYAN
Std. InChI: InChI=1S/C20H25NO2.ClH/c1-16(21(2)3)15-20(19(22)23-4,17-11-7-5-8-​12-17)18-13-9-6-10-14-18;/h5-14,16H,15H2,1-4H3;1H
Std. InChIKey: FEQRJVHEMSQPFZ-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

benzeneac​etic acid​, alpha-[​2-(dimeth​ylamino)p​ropyl]-al​pha-pheny​l-, methy​l ester, ​hydrochlo​ride (1:1)

Methyl 4-​(dimethyl​amino)-2,​2-dipheny​lpentanoa​te hydroc​hloride (​1:1)

4-Dimethy​lamino-2,​2-dipheny​l-pentano​ate, meth​yl ester ​hydrochlo​ride

63979-47-5 [RN]

Benzeneac​etic acid​, alpha-(​2-(dimeth​ylamino)p​ropyl)-al​pha-pheny​l-, methy​l ester, ​hydrochlo​ride

Pentanoic​ acid, 4-​dimethyl-​2,2-diphe​nyl-, met​hyl ester​, hydroch​loride

Valeric a​cid, 4-(N​,N-dimeth​ylamino)-​2,2-diphe​nyl-, met​hyl ester​, hydroch​loride

ACD/LogP: 4.67 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1.69 ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 5.5): 2.18 ACD/BCF (pH 7.4): 42.51
ACD/KOC (pH 5.5): 8.64 ACD/KOC (pH 7.4): 168.67
#H bond acceptors: 3 #H bond donors: 0
#Freely Rotating Bonds: 7 Polar Surface Area: 29.54 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 131.8 °C Enthalpy of Vaporization: 67.4 kJ/mol
Boiling Point: 420.2 °C at 760 mmHg Vapour Pressure: 2.87E-07 mmHg at 25°C