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13116-77-3 | 1-Decanamine, N-[2-[[(4-chlorophenyl)methyl]dithio]ethyl]-, hydrochloride (1:1)
CAS No: 13116-77-3 Catalog No: AG000VMR MDL No:MFCD01736096
Product Description
Catalog Number:
AG000VMR
Chemical Name:
1-Decanamine, N-[2-[[(4-chlorophenyl)methyl]dithio]ethyl]-, hydrochloride (1:1)
CAS Number:
13116-77-3
Molecular Formula:
C19H33Cl2NS2
Molecular Weight:
410.5080
MDL Number:
MFCD01736096
IUPAC Name:
N-[2-[(4-chlorophenyl)methyldisulfanyl]ethyl]decan-1-amine;hydrochloride
InChI:
InChI=1S/C19H32ClNS2.ClH/c1-2-3-4-5-6-7-8-9-14-21-15-16-22-23-17-18-10-12-19(20)13-11-18;/h10-13,21H,2-9,14-17H2,1H3;1H
InChI Key:
JQHUAYXPNPTQRO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCNCCSSCc1ccc(cc1)Cl.Cl
NSC Number:
624206
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.143g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
410.5g/mol
Monoisotopic Mass:
409.143g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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