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142047-94-7 | Phenol, 4-[3-[ethyl(3-phenylpropyl)amino]propyl]-
CAS No: 142047-94-7 Catalog No: AG001HMK MDL No:
Product Description
Catalog Number:
AG001HMK
Chemical Name:
Phenol, 4-[3-[ethyl(3-phenylpropyl)amino]propyl]-
CAS Number:
142047-94-7
Molecular Formula:
C20H27NO
Molecular Weight:
297.4345
IUPAC Name:
4-[3-[ethyl(3-phenylpropyl)amino]propyl]phenol
InChI:
InChI=1S/C20H27NO/c1-2-21(16-6-10-18-8-4-3-5-9-18)17-7-11-19-12-14-20(22)15-13-19/h3-5,8-9,12-15,22H,2,6-7,10-11,16-17H2,1H3
InChI Key:
LSJBZUMLJSLQMF-UHFFFAOYSA-N
SMILES:
CCN(CCCc1ccccc1)CCCc1ccc(cc1)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.209g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.442g/mol
Monoisotopic Mass:
297.209g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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