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86506-72-1 | 2-Propanol, 1-amino-3-[3-(1-piperidinylmethyl)phenoxy]-
CAS No: 86506-72-1 Catalog No: AG004VAR MDL No:
Product Description
Catalog Number:
AG004VAR
Chemical Name:
2-Propanol, 1-amino-3-[3-(1-piperidinylmethyl)phenoxy]-
CAS Number:
86506-72-1
Molecular Formula:
C15H24N2O2
Molecular Weight:
264.3633
IUPAC Name:
1-amino-3-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
InChI:
InChI=1S/C15H24N2O2/c16-10-14(18)12-19-15-6-4-5-13(9-15)11-17-7-2-1-3-8-17/h4-6,9,14,18H,1-3,7-8,10-12,16H2
InChI Key:
OTSZMWCSGBDNQQ-UHFFFAOYSA-N
SMILES:
NCC(COc1cccc(c1)CN1CCCCC1)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.184g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.369g/mol
Monoisotopic Mass:
264.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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