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1254-60-0 | 1,4-Cyclohexanedimethanamine, N1,N4-bis[(2,4,6-trimethylphenyl)methyl]-, hydrochloride (1:2)
CAS No: 1254-60-0 Catalog No: AG000NMH MDL No:
Product Description
Catalog Number:
AG000NMH
Chemical Name:
1,4-Cyclohexanedimethanamine, N1,N4-bis[(2,4,6-trimethylphenyl)methyl]-, hydrochloride (1:2)
CAS Number:
1254-60-0
Molecular Formula:
C28H44Cl2N2
Molecular Weight:
479.5684
IUPAC Name:
N-[(2,4,6-trimethylphenyl)methyl]-1-[4-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride
InChI:
InChI=1S/C28H42N2.2ClH/c1-19-11-21(3)27(22(4)12-19)17-29-15-25-7-9-26(10-8-25)16-30-18-28-23(5)13-20(2)14-24(28)6;;/h11-14,25-26,29-30H,7-10,15-18H2,1-6H3;2*1H
InChI Key:
LEQYZWFWTZQBAZ-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1CNCC1CCC(CC1)CNCc1c(C)cc(cc1C)C)C.Cl.Cl
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.288g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
479.574g/mol
Monoisotopic Mass:
478.288g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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