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102166-62-1 | Benzenemethanamine, N-(2-chloroethyl)-N-[2-[(3,4-dimethoxyphenyl)thio]-1-methylethyl]-, hydrochloride (1:1)
CAS No: 102166-62-1 Catalog No: AG0006SP MDL No:
Product Description
Catalog Number:
AG0006SP
Chemical Name:
Benzenemethanamine, N-(2-chloroethyl)-N-[2-[(3,4-dimethoxyphenyl)thio]-1-methylethyl]-, hydrochloride (1:1)
CAS Number:
102166-62-1
Molecular Formula:
C20H27Cl2NO2S
Molecular Weight:
416.4049
IUPAC Name:
N-benzyl-N-(2-chloroethyl)-1-(3,4-dimethoxyphenyl)sulfanylpropan-2-amine;hydrochloride
InChI:
InChI=1S/C20H26ClNO2S.ClH/c1-16(22(12-11-21)14-17-7-5-4-6-8-17)15-25-18-9-10-19(23-2)20(13-18)24-3;/h4-10,13,16H,11-12,14-15H2,1-3H3;1H
InChI Key:
HAFRVZJHZKJICG-UHFFFAOYSA-N
SMILES:
ClCCN(C(CSc1ccc(c(c1)OC)OC)C)Cc1ccccc1.Cl
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.114g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
416.401g/mol
Monoisotopic Mass:
415.114g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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