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N-benzyl-4-ethoxyaniline

N-benzyl-4-ethoxyaniline

CAS: 72753-31-2

Formula: C15H17NO

SMILES: CCOC1=CC=C(NCC2=CC=CC=C2)C=C1

IUPAC: N-benzyl-4-ethoxyaniline

InChI: InChI=1S/C15H17NO/c1-2-17-15-10-8-14(9-11-15)16-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3

Composition: C (79.26%), H (7.54%), N (6.16%), O (7.04%)

Molar Mass: 227.307

Atom Count: 34

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 227.131014171
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZAUVBVZMMZMKSQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.08
Topological Polar Surface Area 21.26
Polarizability 27.3
Ring Count 2
Rotatable Bond Count 5

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96% <7 Days 72753-31-2 $186.30-$644.81$186.30$323.96$644.81
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95% 1 Day 72753-31-2 $235.87-$825.55$235.87$412.78$825.55
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