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101418-48-8 | 1,2-Ethanediamine, N1-[3-[4-(phenoxymethyl)phenyl]propyl]-
CAS No: 101418-48-8 Catalog No: AG0004G2 MDL No:
Product Description
Catalog Number:
AG0004G2
Chemical Name:
1,2-Ethanediamine, N1-[3-[4-(phenoxymethyl)phenyl]propyl]-
CAS Number:
101418-48-8
Molecular Formula:
C18H24N2O
Molecular Weight:
284.3960
IUPAC Name:
N'-[3-[4-(phenoxymethyl)phenyl]propyl]ethane-1,2-diamine
InChI:
InChI=1S/C18H24N2O/c19-12-14-20-13-4-5-16-8-10-17(11-9-16)15-21-18-6-2-1-3-7-18/h1-3,6-11,20H,4-5,12-15,19H2
InChI Key:
AZJFQLFBPOSCEB-UHFFFAOYSA-N
SMILES:
NCCNCCCc1ccc(cc1)COc1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.189g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.403g/mol
Monoisotopic Mass:
284.189g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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