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20809-26-1 | 1-Pentanone, 1-[2-[2-[bis(1-methylethyl)amino]ethoxy]phenyl]-, hydrochloride (1:1)
CAS No: 20809-26-1 Catalog No: AG002JGQ MDL No:
Product Description
Catalog Number:
AG002JGQ
Chemical Name:
1-Pentanone, 1-[2-[2-[bis(1-methylethyl)amino]ethoxy]phenyl]-, hydrochloride (1:1)
CAS Number:
20809-26-1
Molecular Formula:
C19H32ClNO2
Molecular Weight:
341.9159
IUPAC Name:
1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]pentan-1-one;hydrochloride
InChI:
InChI=1S/C19H31NO2.ClH/c1-6-7-11-18(21)17-10-8-9-12-19(17)22-14-13-20(15(2)3)16(4)5;/h8-10,12,15-16H,6-7,11,13-14H2,1-5H3;1H
InChI Key:
XFEZBIHOFIWTOK-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1ccccc1OCCN(C(C)C)C(C)C.Cl
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.212g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.92g/mol
Monoisotopic Mass:
341.212g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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