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101686-63-9 | Phenol, 4-[[2-[4-(methylamino)butoxy]phenyl]methyl]-
CAS No: 101686-63-9 Catalog No: AG00057P MDL No:
Product Description
Catalog Number:
AG00057P
Chemical Name:
Phenol, 4-[[2-[4-(methylamino)butoxy]phenyl]methyl]-
CAS Number:
101686-63-9
Molecular Formula:
C18H23NO2
Molecular Weight:
285.3807
IUPAC Name:
4-[[2-[4-(methylamino)butoxy]phenyl]methyl]phenol
InChI:
InChI=1S/C18H23NO2/c1-19-12-4-5-13-21-18-7-3-2-6-16(18)14-15-8-10-17(20)11-9-15/h2-3,6-11,19-20H,4-5,12-14H2,1H3
InChI Key:
OAXQKMWMVBGUJZ-UHFFFAOYSA-N
SMILES:
CNCCCCOc1ccccc1Cc1ccc(cc1)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.387g/mol
Monoisotopic Mass:
285.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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