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127003-34-3 | 1-Propanamine, 3-[2-[2-(4-chlorophenyl)ethyl]phenoxy]-N,N-dimethyl-
CAS No: 127003-34-3 Catalog No: AG000WJB MDL No:
Product Description
Catalog Number:
AG000WJB
Chemical Name:
1-Propanamine, 3-[2-[2-(4-chlorophenyl)ethyl]phenoxy]-N,N-dimethyl-
CAS Number:
127003-34-3
Molecular Formula:
C19H24ClNO
Molecular Weight:
317.8530
IUPAC Name:
3-[2-[2-(4-chlorophenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
InChI:
InChI=1S/C19H24ClNO/c1-21(2)14-5-15-22-19-7-4-3-6-17(19)11-8-16-9-12-18(20)13-10-16/h3-4,6-7,9-10,12-13H,5,8,11,14-15H2,1-2H3
InChI Key:
UGQYVJHUOPLZTH-UHFFFAOYSA-N
SMILES:
CN(CCCOc1ccccc1CCc1ccc(cc1)Cl)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.155g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.857g/mol
Monoisotopic Mass:
317.155g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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