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2459-87-2 | Ethanamine, 2-[4-(chloromethyl)phenoxy]-N,N-diethyl-, hydrochloride (1:1)
CAS No: 2459-87-2 Catalog No: AG002OOH MDL No:
Product Description
Catalog Number:
AG002OOH
Chemical Name:
Ethanamine, 2-[4-(chloromethyl)phenoxy]-N,N-diethyl-, hydrochloride (1:1)
CAS Number:
2459-87-2
Molecular Formula:
C13H21Cl2NO
Molecular Weight:
278.2179
IUPAC Name:
2-[4-(chloromethyl)phenoxy]-N,N-diethylethanamine;hydrochloride
InChI:
InChI=1S/C13H20ClNO.ClH/c1-3-15(4-2)9-10-16-13-7-5-12(11-14)6-8-13;/h5-8H,3-4,9-11H2,1-2H3;1H
InChI Key:
CCYOMBPBYCKDAK-UHFFFAOYSA-N
SMILES:
CCN(CCOc1ccc(cc1)CCl)CC.Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.217g/mol
Monoisotopic Mass:
277.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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