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823191-53-3 | 2H-1,4-Benzoxazin-6-amine, 3,4-dihydro-4-(1-methyl-4-piperidinyl)-
CAS No: 823191-53-3 Catalog No: AG005FDJ MDL No:
Product Description
Catalog Number:
AG005FDJ
Chemical Name:
2H-1,4-Benzoxazin-6-amine, 3,4-dihydro-4-(1-methyl-4-piperidinyl)-
CAS Number:
823191-53-3
Molecular Formula:
C14H21N3O
Molecular Weight:
247.3360
IUPAC Name:
4-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazin-6-amine
InChI:
InChI=1S/C14H21N3O/c1-16-6-4-12(5-7-16)17-8-9-18-14-3-2-11(15)10-13(14)17/h2-3,10,12H,4-9,15H2,1H3
InChI Key:
UMTIFVVEOWDQRU-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)N1CCOc2c1cc(N)cc2
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.342g/mol
Monoisotopic Mass:
247.168g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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