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758691-50-8 | 1,2-Ethanediamine, 1,2-bis(2-methoxyphenyl)-, (1R,2R)-
CAS No: 758691-50-8 Catalog No: AG005HYT MDL No:
Product Description
Catalog Number:
AG005HYT
Chemical Name:
1,2-Ethanediamine, 1,2-bis(2-methoxyphenyl)-, (1R,2R)-
CAS Number:
758691-50-8
Molecular Formula:
C16H20N2O2
Molecular Weight:
272.3422
IUPAC Name:
(1R,2R)-1,2-bis(2-methoxyphenyl)ethane-1,2-diamine
InChI:
InChI=1S/C16H20N2O2/c1-19-13-9-5-3-7-11(13)15(17)16(18)12-8-4-6-10-14(12)20-2/h3-10,15-16H,17-18H2,1-2H3/t15-,16-/m1/s1
InChI Key:
CTMKVJFFLNHDQE-HZPDHXFCSA-N
SMILES:
COc1ccccc1[C@H]([C@@H](c1ccccc1OC)N)N
Properties
Complexity:
260
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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