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NSC89443 1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol hydrochloride 5296-28-6
Identification and Related Records
【Name】
NSC89443
【Iupac name】
1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol hydrochloride
【CAS Registry number】
5296-28-6
【Synonyms】
MLS000718330
NSC89443
NSC-89443
SMR000290598
LS-115454
5296-28-6
【Molecular Formula】
C15H23NO2 (Products with the same molecular formula)
【Molecular Weight】
285.80956
【Inchi】
InChI=1S/C15H23NO2.ClH/c1-13-7-3-4-8-15(13)18-12-14(17)11-16-9-5-2-6-10-16;/h3-4,7-8,14,17H,2,5-6,9-12H2,1H3;1H
【InChIKey】
CHVLJEGOXABBFU-UHFFFAOYSA-N
【Canonical SMILES】
CC1=CC=CC=C1OCC(CN2CCCCC2)O.Cl
Chemical and Physical Properties
【Computed Properties】
Molecular Weight:285.80956 [g/mol]
Molecular Formula:C15H24ClNO2
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:5
Exact Mass:285.149557
MonoIsotopic Mass:285.149557
Topological Polar Surface Area:32.7
Heavy Atom Count:19
Formal Charge:0
Complexity:229
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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