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88116-42-1 | Benzaldehyde, 2-[[(2-aminophenyl)methyl]amino]-
CAS No: 88116-42-1 Catalog No: AG008CDS MDL No:
Product Description
Catalog Number:
AG008CDS
Chemical Name:
Benzaldehyde, 2-[[(2-aminophenyl)methyl]amino]-
CAS Number:
88116-42-1
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
IUPAC Name:
2-[(2-aminophenyl)methylamino]benzaldehyde
InChI:
InChI=1S/C14H14N2O/c15-13-7-3-1-5-11(13)9-16-14-8-4-2-6-12(14)10-17/h1-8,10,16H,9,15H2
InChI Key:
NPENBILKIKSNFJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1NCc1ccccc1N
Properties
Complexity:
244
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:
2
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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