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102207-81-8 | 4-Pyrimidinamine, 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methyl-, hydrochloride (1:1)
CAS No: 102207-81-8 Catalog No: AG0006XF MDL No:
Product Description
Catalog Number:
AG0006XF
Chemical Name:
4-Pyrimidinamine, 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methyl-, hydrochloride (1:1)
CAS Number:
102207-81-8
Molecular Formula:
C16H21Cl2N3O
Molecular Weight:
342.2634
IUPAC Name:
2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine;hydrochloride
InChI:
InChI=1S/C16H20ClN3O.ClH/c1-4-20(5-2)16-9-12(3)18-15(19-16)11-21-14-8-6-7-13(17)10-14;/h6-10H,4-5,11H2,1-3H3;1H
InChI Key:
MTZMDNNRSSEQQF-UHFFFAOYSA-N
SMILES:
CCN(c1nc(COc2cccc(c2)Cl)nc(c1)C)CC.Cl
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.264g/mol
Monoisotopic Mass:
341.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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