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251450-11-0 | Ethanamine, N-methyl-2-[(1-methyl-1H-pyrazol-5-yl)phenylmethoxy]-
CAS No: 251450-11-0 Catalog No: AG002QMI MDL No:
Product Description
Catalog Number:
AG002QMI
Chemical Name:
Ethanamine, N-methyl-2-[(1-methyl-1H-pyrazol-5-yl)phenylmethoxy]-
CAS Number:
251450-11-0
Molecular Formula:
C14H19N3O
Molecular Weight:
245.3202
IUPAC Name:
N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
InChI:
InChI=1S/C14H19N3O/c1-15-10-11-18-14(12-6-4-3-5-7-12)13-8-9-16-17(13)2/h3-9,14-15H,10-11H2,1-2H3
InChI Key:
HXPOXCFCESUOEW-UHFFFAOYSA-N
SMILES:
CNCCOC(c1ccnn1C)c1ccccc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.153g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.326g/mol
Monoisotopic Mass:
245.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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