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1270076-56-6 | 2-Pyridinamine, 3,6-difluoro-N-[(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)methyl]-
CAS No: 1270076-56-6 Catalog No: AG000WJX MDL No:
Product Description
Catalog Number:
AG000WJX
Chemical Name:
2-Pyridinamine, 3,6-difluoro-N-[(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)methyl]-
CAS Number:
1270076-56-6
Molecular Formula:
C13H18F2N2O
Molecular Weight:
256.2916
IUPAC Name:
N-[(2,2-dimethyloxan-4-yl)methyl]-3,6-difluoropyridin-2-amine
InChI:
InChI=1S/C13H18F2N2O/c1-13(2)7-9(5-6-18-13)8-16-12-10(14)3-4-11(15)17-12/h3-4,9H,5-8H2,1-2H3,(H,16,17)
InChI Key:
AHOIASZITRRQIH-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(n1)NCC1CCOC(C1)(C)C)F
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.139g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.297g/mol
Monoisotopic Mass:
256.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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