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87107-72-0 | 1-Propanamine, 3-[3-[(4-methyl-1-piperidinyl)methyl]phenoxy]-
CAS No: 87107-72-0 Catalog No: AG004TZQ MDL No:
Product Description
Catalog Number:
AG004TZQ
Chemical Name:
1-Propanamine, 3-[3-[(4-methyl-1-piperidinyl)methyl]phenoxy]-
CAS Number:
87107-72-0
Molecular Formula:
C16H26N2O
Molecular Weight:
262.3904
IUPAC Name:
3-[3-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-1-amine
InChI:
InChI=1S/C16H26N2O/c1-14-6-9-18(10-7-14)13-15-4-2-5-16(12-15)19-11-3-8-17/h2,4-5,12,14H,3,6-11,13,17H2,1H3
InChI Key:
AWNUJJAQOVFDHH-UHFFFAOYSA-N
SMILES:
NCCCOc1cccc(c1)CN1CCC(CC1)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.205g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.397g/mol
Monoisotopic Mass:
262.205g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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