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13116-76-2 | 1-Decanamine, N-[2-[[(4-methoxyphenyl)methyl]dithio]ethyl]-, hydrochloride (1:1)
CAS No: 13116-76-2 Catalog No: AG000VMS MDL No:
Product Description
Catalog Number:
AG000VMS
Chemical Name:
1-Decanamine, N-[2-[[(4-methoxyphenyl)methyl]dithio]ethyl]-, hydrochloride (1:1)
CAS Number:
13116-76-2
Molecular Formula:
C20H36ClNOS2
Molecular Weight:
406.0889
IUPAC Name:
N-[2-[(4-methoxyphenyl)methyldisulfanyl]ethyl]decan-1-amine
InChI:
InChI=1S/C20H35NOS2/c1-3-4-5-6-7-8-9-10-15-21-16-17-23-24-18-19-11-13-20(22-2)14-12-19/h11-14,21H,3-10,15-18H2,1-2H3
InChI Key:
NTLHSAKTYMNOIK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCNCCSSCc1ccc(cc1)OC.Cl
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.216g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.626g/mol
Monoisotopic Mass:
369.216g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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