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136588-31-3 | Ethanamine, 2-[4-(2-ethylbutyl)phenoxy]-N-propoxy-
CAS No: 136588-31-3 Catalog No: AG00123T MDL No:
Product Description
Catalog Number:
AG00123T
Chemical Name:
Ethanamine, 2-[4-(2-ethylbutyl)phenoxy]-N-propoxy-
CAS Number:
136588-31-3
Molecular Formula:
C17H29NO2
Molecular Weight:
279.4177
IUPAC Name:
2-[4-(2-ethylbutyl)phenoxy]-N-propoxyethanamine
InChI:
InChI=1S/C17H29NO2/c1-4-12-20-18-11-13-19-17-9-7-16(8-10-17)14-15(5-2)6-3/h7-10,15,18H,4-6,11-14H2,1-3H3
InChI Key:
XOXRUCOKHSCEAS-UHFFFAOYSA-N
SMILES:
CCCONCCOc1ccc(cc1)CC(CC)CC
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.22g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.424g/mol
Monoisotopic Mass:
279.22g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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