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1420816-61-0 | 4-Pyrimidinamine, N-ethyl-2-(3-piperidinylmethoxy)-, hydrochloride (1:1)
CAS No: 1420816-61-0 Catalog No: AG001HQT MDL No:
Product Description
Catalog Number:
AG001HQT
Chemical Name:
4-Pyrimidinamine, N-ethyl-2-(3-piperidinylmethoxy)-, hydrochloride (1:1)
CAS Number:
1420816-61-0
Molecular Formula:
C12H21ClN4O
Molecular Weight:
272.7743
IUPAC Name:
N-ethyl-2-(piperidin-3-ylmethoxy)pyrimidin-4-amine;hydrochloride
InChI:
InChI=1S/C12H20N4O.ClH/c1-2-14-11-5-7-15-12(16-11)17-9-10-4-3-6-13-8-10;/h5,7,10,13H,2-4,6,8-9H2,1H3,(H,14,15,16);1H
InChI Key:
NIHSVCJSVMMHQW-UHFFFAOYSA-N
SMILES:
CCNc1ccnc(n1)OCC1CCCNC1.Cl
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.14g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
272.777g/mol
Monoisotopic Mass:
272.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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