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808740-86-5 | Phenol, [3-[ethyl(3-phenylpropyl)amino]propyl]-
CAS No: 808740-86-5 Catalog No: AG0057C2 MDL No:
Product Description
Catalog Number:
AG0057C2
Chemical Name:
Phenol, [3-[ethyl(3-phenylpropyl)amino]propyl]-
CAS Number:
808740-86-5
Molecular Formula:
C20H27NO
Molecular Weight:
297.4345
IUPAC Name:
2-[3-[ethyl(3-phenylpropyl)amino]propyl]phenol
InChI:
InChI=1S/C20H27NO/c1-2-21(16-8-12-18-10-4-3-5-11-18)17-9-14-19-13-6-7-15-20(19)22/h3-7,10-11,13,15,22H,2,8-9,12,14,16-17H2,1H3
InChI Key:
VQRPADSPKGLSLI-UHFFFAOYSA-N
SMILES:
CCN(CCCc1ccccc1O)CCCc1ccccc1
Properties
Complexity:
275
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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