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1303968-49-1 | 3-Pyridineethanamine, 6-phenoxy-, hydrochloride (1:2)
CAS No: 1303968-49-1 Catalog No: AG000UCQ MDL No:MFCD18914385
Product Description
Catalog Number:
AG000UCQ
Chemical Name:
3-Pyridineethanamine, 6-phenoxy-, hydrochloride (1:2)
CAS Number:
1303968-49-1
Molecular Formula:
C13H16Cl2N2O
Molecular Weight:
287.1849
MDL Number:
MFCD18914385
IUPAC Name:
2-(6-phenoxypyridin-3-yl)ethanamine;dihydrochloride
InChI:
InChI=1S/C13H14N2O.2ClH/c14-9-8-11-6-7-13(15-10-11)16-12-4-2-1-3-5-12;;/h1-7,10H,8-9,14H2;2*1H
InChI Key:
AUQPQBFVIINDEK-UHFFFAOYSA-N
SMILES:
NCCc1ccc(nc1)Oc1ccccc1.Cl.Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
287.184g/mol
Monoisotopic Mass:
286.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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