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685533-76-0 | BENZENEMETHANAMINE, 4-(3-PYRIDINYLOXY)-
CAS No: 685533-76-0 Catalog No: AG006IRD MDL No:MFCD04971080
Product Description
Catalog Number:
AG006IRD
Chemical Name:
BENZENEMETHANAMINE, 4-(3-PYRIDINYLOXY)-
CAS Number:
685533-76-0
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD04971080
IUPAC Name:
(4-pyridin-3-yloxyphenyl)methanamine
InChI:
InChI=1S/C12H12N2O/c13-8-10-3-5-11(6-4-10)15-12-2-1-7-14-9-12/h1-7,9H,8,13H2
InChI Key:
QWHHBGLRFYJJDW-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)Oc1cccnc1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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