Tesmilifene supplier | CasNO.98774-23-3

Name
Tesmilifene
EINECS 211-892-8
CAS No. 98774-23-3
Article Data4
CAS DataBase
Density 1.002 g/cm³
Solubility
Melting Point
Formula C₁₉H₂₅NO
Boiling Point 397 °C at 760 mmHg
Molecular Weight 283.414
Flash Point 116.8 °C
Transport Information
Appearance Transparent, colorless liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Triethylamine,2-(a-phenyl-p-tolyloxy)- (5CI);DPPE;N,N-Diethyl-2-(p-benzylphenoxy)ethylamine;N,N-Diethyl-2-[4-(phenylmethyl)phenoxy]ethanamine;
PSA 12.47000
LogP 3.99800

Tesmilifene Specification

The Ethanamine,N,N-diethyl-2-[4-(phenylmethyl)phenoxy]-, with CAS registry number 98774-23-3, has the systematic name of 2-(4-benzylphenoxy)-N,N-diethylethanamine. And its IUPAC name is the same one. And this chemical has related registry number of 92981-78-7 (hydrochloride).

Physical properties of Ethanamine,N,N-diethyl-2-[4-(phenylmethyl)phenoxy]-: (1)ACD/LogP: 5.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 3.47; (6)ACD/BCF (pH 7.4): 26.14; (7)ACD/KOC (pH 5.5): 11.43; (8)ACD/KOC (pH 7.4): 86.13; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 89.13 cm³; (15)Molar Volume: 282.6 cm³; (16)Polarizability: 35.33×10^-24cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Enthalpy of Vaporization: 64.74 kJ/mol; (19)Vapour Pressure: 1.64E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)Cc2ccccc2)CCN(CC)CC
(2)InChI: InChI=1/C19H25NO/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3
(3)InChIKey: NFIXBCVWIPOYCD-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C19H25NO/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3
(5)Std. InChIKey: NFIXBCVWIPOYCD-UHFFFAOYSA-N

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Tesmilifene

Tesmilifene Specification

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