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WV 0080,LS-103790,p-Cymene, 3-(2-(N-(2-chloroethyl)-N-ethylamino)propo

放大字体  缩小字体 更新日期:2018-02-03  浏览次数:7
摘 要:WV 0080,LS-103790,p-Cymene, 3-(2-(N-(2-chloroethyl)-N-ethylamino)propoxy)-, hydrochloride,beta-(N-(2-Chloroethyl)-N-ethylamino)-beta,5-dimethyl-2-isopropylphenetole hydrochloride,Phenetole, beta-(N-(2-chloroethyl)-N-ethylamino)-beta,5-dimethyl-2-isop
[Synonyms]
WV 0080
LS-103790
p-Cymene, 3-(2-(N-(2-chloroethyl)-N-ethylamino)propoxy)-, hydrochloride
beta-(N-(2-Chloroethyl)-N-ethylamino)-beta,5-dimethyl-2-isopropylphenetole hydrochloride
Phenetole, beta-(N-(2-chloroethyl)-N-ethylamino)-beta,5-dimethyl-2-isopropyl-, hydrochloride
16793-82-1

[Structure]
WV 0080,LS-103790,p-Cymene, 3-(2-(N-(2-chloroethyl)-N-ethylamino)propo

[ Properties Computed from Structure]
Molecular Weight334.32426 [g/mol]
Molecular FormulaC17H29Cl2NO
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count8
Exact Mass333.16262
MonoIsotopic Mass333.16262
Topological Polar Surface Area12.5
Heavy Atom Count21
Formal Charge0
Complexity259
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2

[ Descriptors Computed from Structure]
IUPAC Name: N-(2-chloroethyl)-N-ethyl-1-(5-methyl-2-propan-2-ylphenoxy)propan-2-
amine hydrochloride
Canonical SMILES: CCN(CCCl)C(C)COC1=C(C=CC(=C1)C)C(C)C.Cl
InChI: InChI=1/C17H28ClNO.ClH/c1-6-19(10-9-18)15(5)12-20-17-11-14(4)7-8-16(17)
13(2)3;/h7-8,11,13,15H,6,9-10,12H2,1-5H3;1H

 
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