Free Chemical Databases
-
[Synonyms]
67158-59-2
[Structure]
[ Properties Computed from Structure]
Molecular Weight 390.93448 [g/mol] Molecular Formula C13H22BrNSn H-Bond Donor 0 H-Bond Acceptor 5 Rotatable Bond Count 2 Exact Mass 390.995759 MonoIsotopic Mass 390.995759 Topological Polar Surface Area 3.2 Heavy Atom Count 16 Formal Charge 0 Complexity 185 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 5
[ Descriptors Computed from Structure]
IUPAC Name: N,N-dimethyl-1-phenylmethanamine; ethane; tin(+4) cation; bromide
Canonical SMILES: C[CH2-].C[CH2-].CN(C)CC1=C[C-]=CC=C1.[Br-].[Sn+4]
InChI: InChI=1/C9H12N.2C2H5.BrH.Sn/c1-10(2)8-9-6-4-3-5-7-9;2*1-2;;/h3-4,6-7H,
8H2,1-2H3;2*1H2,
2H3;1H;/q3*-1;;+4/p-1/fC9H12N.2C2H5.Br.Sn/h;;;1h;/q3m;-1;m
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