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72753-31-2 | Benzenemethanamine,N-(4-ethoxyphenyl)-
CAS No: 72753-31-2 Catalog No: AG005FHA MDL No:MFCD01475048
Product Description
Catalog Number:
AG005FHA
Chemical Name:
Benzenemethanamine,N-(4-ethoxyphenyl)-
CAS Number:
72753-31-2
Molecular Formula:
C15H17NO
Molecular Weight:
227.3016
MDL Number:
MFCD01475048
IUPAC Name:
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
InChI Key:
ZAUVBVZMMZMKSQ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NCc1ccccc1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.307g/mol
Monoisotopic Mass:
227.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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