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1458615-93-4 | 4-[(1-ethyl-1H-pyrazol-4-yl)methoxy]aniline dihydrochloride
CAS No: 1458615-93-4 Catalog No: AG01FK2M MDL No:
Product Description
Catalog Number:
AG01FK2M
Chemical Name:
4-[(1-ethyl-1H-pyrazol-4-yl)methoxy]aniline dihydrochloride
CAS Number:
1458615-93-4
Molecular Formula:
C12H17Cl2N3O
Molecular Weight:
290.1889
IUPAC Name:
4-[(1-ethylpyrazol-4-yl)methoxy]aniline;dihydrochloride
InChI:
InChI=1S/C12H15N3O.2ClH/c1-2-15-8-10(7-14-15)9-16-12-5-3-11(13)4-6-12;;/h3-8H,2,9,13H2,1H3;2*1H
InChI Key:
SHTRSRVFICKXOS-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1)COc1ccc(cc1)N.Cl.Cl
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
290.188g/mol
Monoisotopic Mass:
289.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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