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138323-66-7 | 1-Octanamine, N-[2-(4-chloro-3-methylphenoxy)ethyl]-, hydrochloride (1:1)
CAS No: 138323-66-7 Catalog No: AG0018K2 MDL No:
Product Description
Catalog Number:
AG0018K2
Chemical Name:
1-Octanamine, N-[2-(4-chloro-3-methylphenoxy)ethyl]-, hydrochloride (1:1)
CAS Number:
138323-66-7
Molecular Formula:
C17H29Cl2NO
Molecular Weight:
334.3243
IUPAC Name:
N-[2-(4-chloro-3-methylphenoxy)ethyl]octan-1-amine;hydrochloride
InChI:
InChI=1S/C17H28ClNO.ClH/c1-3-4-5-6-7-8-11-19-12-13-20-16-9-10-17(18)15(2)14-16;/h9-10,14,19H,3-8,11-13H2,1-2H3;1H
InChI Key:
FQPAPKCFOPUSHZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCNCCOc1ccc(c(c1)C)Cl.Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.325g/mol
Monoisotopic Mass:
333.163g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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