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849819-90-5 | 1,2-Cyclohexanediamine, N,N,N',N'-tetrakis(phenylmethyl)-, (1R,2R)-
CAS No: 849819-90-5 Catalog No: AG004QEP MDL No:
Product Description
Catalog Number:
AG004QEP
Chemical Name:
1,2-Cyclohexanediamine, N,N,N',N'-tetrakis(phenylmethyl)-, (1R,2R)-
CAS Number:
849819-90-5
Molecular Formula:
C34H38N2
Molecular Weight:
474.6789
IUPAC Name:
(1R,2R)-1-N,1-N,2-N,2-N-tetrabenzylcyclohexane-1,2-diamine
InChI:
InChI=1S/C34H38N2/c1-5-15-29(16-6-1)25-35(26-30-17-7-2-8-18-30)33-23-13-14-24-34(33)36(27-31-19-9-3-10-20-31)28-32-21-11-4-12-22-32/h1-12,15-22,33-34H,13-14,23-28H2/t33-,34-/m1/s1
InChI Key:
VQKUVAQLXCSJFT-KKLWWLSJSA-N
SMILES:
C1CC[C@H]([C@@H](C1)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
474.303g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
474.692g/mol
Monoisotopic Mass:
474.303g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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