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113715-95-0 | 1-Hexanol, 6-[4-[2-[(2-hydroxyethyl)amino]propyl]phenoxy]-
CAS No: 113715-95-0 Catalog No: AG0009GP MDL No:
Product Description
Catalog Number:
AG0009GP
Chemical Name:
1-Hexanol, 6-[4-[2-[(2-hydroxyethyl)amino]propyl]phenoxy]-
CAS Number:
113715-95-0
Molecular Formula:
C17H29NO3
Molecular Weight:
295.4171
IUPAC Name:
6-[4-[2-(2-hydroxyethylamino)propyl]phenoxy]hexan-1-ol
InChI:
InChI=1S/C17H29NO3/c1-15(18-10-12-20)14-16-6-8-17(9-7-16)21-13-5-3-2-4-11-19/h6-9,15,18-20H,2-5,10-14H2,1H3
InChI Key:
KRQORWOVNOHQST-UHFFFAOYSA-N
SMILES:
OCCCCCCOc1ccc(cc1)CC(NCCO)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.215g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
295.423g/mol
Monoisotopic Mass:
295.215g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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