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116447-22-4 | Ethanamine, N,N-dimethyl-2-(4-methylphenoxy)-, hydrochloride (1:1)
CAS No: 116447-22-4 Catalog No: AG000CIN MDL No:
Product Description
Catalog Number:
AG000CIN
Chemical Name:
Ethanamine, N,N-dimethyl-2-(4-methylphenoxy)-, hydrochloride (1:1)
CAS Number:
116447-22-4
Molecular Formula:
C11H18ClNO
Molecular Weight:
215.7197
IUPAC Name:
N,N-dimethyl-2-(4-methylphenoxy)ethanamine;hydrochloride
InChI:
InChI=1S/C11H17NO.ClH/c1-10-4-6-11(7-5-10)13-9-8-12(2)3;/h4-7H,8-9H2,1-3H3;1H
InChI Key:
JWXLOCMZNABUHE-UHFFFAOYSA-N
SMILES:
CN(CCOc1ccc(cc1)C)C.Cl
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.108g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.721g/mol
Monoisotopic Mass:
215.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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