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261789-10-0 | Benzeneethanamine, 2,5-diethoxy-
CAS No: 261789-10-0 Catalog No: AG002S3I MDL No:
Product Description
Catalog Number:
AG002S3I
Chemical Name:
Benzeneethanamine, 2,5-diethoxy-
CAS Number:
261789-10-0
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
IUPAC Name:
2-(2,5-diethoxyphenyl)ethanamine
InChI:
InChI=1S/C12H19NO2/c1-3-14-11-5-6-12(15-4-2)10(9-11)7-8-13/h5-6,9H,3-4,7-8,13H2,1-2H3
InChI Key:
NGQHFFIVHRDNMH-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)CCN)OCC
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.289g/mol
Monoisotopic Mass:
209.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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