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116807-88-6 | 1,4-Benzenediamine, N1-[(4-methoxyphenyl)methylene]-
CAS No: 116807-88-6 Catalog No: AG000D8Q MDL No:
Product Description
Catalog Number:
AG000D8Q
Chemical Name:
1,4-Benzenediamine, N1-[(4-methoxyphenyl)methylene]-
CAS Number:
116807-88-6
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
IUPAC Name:
4-[(4-methoxyphenyl)methylideneamino]aniline
InChI:
InChI=1S/C14H14N2O/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-10H,15H2,1H3
InChI Key:
AIYKHIYNOKZQNY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=Nc1ccc(cc1)N
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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