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58520-03-9 | (1R,2R)-1,2-Di(4'-methoxyphenyl)-1,2-diaminoethane
CAS No: 58520-03-9 Catalog No: AG003ENI MDL No:MFCD08460191
Product Description
Catalog Number:
AG003ENI
Chemical Name:
(1R,2R)-1,2-Di(4'-methoxyphenyl)-1,2-diaminoethane
CAS Number:
58520-03-9
Molecular Formula:
C16H20N2O2
Molecular Weight:
272.3422
MDL Number:
MFCD08460191
IUPAC Name:
(1S,2S)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine
InChI:
InChI=1S/C16H20N2O2/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15-16H,17-18H2,1-2H3/t15-,16-/m0/s1
InChI Key:
ZWMPRHYHRAUVGY-HOTGVXAUSA-N
SMILES:
COc1ccc(cc1)[C@H]([C@@H](c1ccc(cc1)OC)N)N
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
272.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.348g/mol
Monoisotopic Mass:
272.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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