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(4aR,10bR)-2H,3H,4H,4aH,5H,6H,10bH-naphtho[1,2-b]morpholin-9-ol hydrochloride
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ChemBase ID:
169705
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Molecular Formular:
C12H16ClNO2
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Molecular Mass:
241.71394
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Monoisotopic Mass:
241.08695644
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SMILES and InChIs
SMILES:
C1CN[C@H]2[C@H](O1)c1c(CC2)ccc(c1)O.Cl
Canonical SMILES:
Oc1ccc2c(c1)[C@H]1OCCN[C@@H]1CC2.Cl
InChI:
InChI=1S/C12H15NO2.ClH/c14-9-3-1-8-2-4-11-12(10(8)7-9)15-6-5-13-11;/h1,3,7,11-14H,2,4-6H2;1H/t11-,12-;/m1./s1
InChIKey:
ZSTHSLBOCJXONG-MNMPKAIFSA-N
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Cite this record
CBID:169705 http://www.chembase.cn/molecule-169705.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(4aR,10bR)-2H,3H,4H,4aH,5H,6H,10bH-naphtho[1,2-b]morpholin-9-ol hydrochloride
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IUPAC Traditional name
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(4aR,10bR)-2H,3H,4H,4aH,5H,6H,10bH-naphtho[1,2-b]morpholin-9-ol hydrochloride
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Synonyms
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(4aR,10bR)- 3,4,4a,5,6,10b-Hexahydro-2H-Naphth[1,2-b]-1,4-oxazin-9-ol, Hydrochloride
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(+)-3,4,4a,5,6,10b-Hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol Hydrochloride
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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9.692484
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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-1.026157
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LogD (pH = 7.4)
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0.6937978
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Log P
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1.4576133
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Molar Refractivity
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57.6124 cm3
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Polarizability
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22.65615 Å3
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Polar Surface Area
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41.49 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
TRC
Toronto Research Chemicals -
H294075
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A dopamine agonist. This compound has been used as a precursor for the PET radiotracer, 11C-(+)-4-Propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol. |
PATENTS
PATENTS
PubChem Patent
Google Patent