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1254-80-4 | 1,4-Cyclohexanebis(methylamine), N,N'-bis[p-(dimethylamino)benzyl], tetrahydrochloride (7CI,8CI)
CAS No: 1254-80-4 Catalog No: AG000NN9 MDL No:
Product Description
Catalog Number:
AG000NN9
Chemical Name:
1,4-Cyclohexanebis(methylamine), N,N'-bis[p-(dimethylamino)benzyl], tetrahydrochloride (7CI,8CI)
CAS Number:
1254-80-4
IUPAC Name:
4-[[[4-[[[4-(dimethylamino)phenyl]methylamino]methyl]cyclohexyl]methylamino]methyl]-N,N-dimethylaniline;tetrahydrochloride
InChI:
InChI=1S/C26H40N4.4ClH/c1-29(2)25-13-9-23(10-14-25)19-27-17-21-5-7-22(8-6-21)18-28-20-24-11-15-26(16-12-24)30(3)4;;;;/h9-16,21-22,27-28H,5-8,17-20H2,1-4H3;4*1H
InChI Key:
QXMJKFZFEVGIQU-UHFFFAOYSA-N
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.229g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
554.466g/mol
Monoisotopic Mass:
552.232g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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