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1353971-71-7 | N-Benzyl-N-ethyl-N'-methyl-cyclohexane-1,4-diamine
CAS No: 1353971-71-7 Catalog No: AG01F90I MDL No:
Product Description
Catalog Number:
AG01F90I
Chemical Name:
N-Benzyl-N-ethyl-N'-methyl-cyclohexane-1,4-diamine
CAS Number:
1353971-71-7
Molecular Formula:
C16H26N2
Molecular Weight:
246.3910
IUPAC Name:
4-N-benzyl-4-N-ethyl-1-N-methylcyclohexane-1,4-diamine
InChI:
InChI=1S/C16H26N2/c1-3-18(13-14-7-5-4-6-8-14)16-11-9-15(17-2)10-12-16/h4-8,15-17H,3,9-13H2,1-2H3
InChI Key:
VOLNRGXJYBTZAE-UHFFFAOYSA-N
SMILES:
CNC1CCC(CC1)N(Cc1ccccc1)CC
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.21g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.398g/mol
Monoisotopic Mass:
246.21g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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