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14909-79-6 molecular structure
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(1R,2R)-2-(morpholin-4-yl)cyclohexan-1-ol

ChemBase ID: 57412
Molecular Formular: C10H19NO2
Molecular Mass: 185.26336
Monoisotopic Mass: 185.14157885
SMILES and InChIs

SMILES:
N1([C@H]2[C@H](O)CCCC2)CCOCC1
Canonical SMILES:
O[C@@H]1CCCC[C@H]1N1CCOCC1
InChI:
InChI=1S/C10H19NO2/c12-10-4-2-1-3-9(10)11-5-7-13-8-6-11/h9-10,12H,1-8H2/t9-,10-/m1/s1
InChIKey:
VRWZNEVHNNIRKP-NXEZZACHSA-N

Cite this record

CBID:57412 http://www.chembase.cn/molecule-57412.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,2R)-2-(morpholin-4-yl)cyclohexan-1-ol
IUPAC Traditional name
(1R,2R)-2-(morpholin-4-yl)cyclohexan-1-ol
Synonyms
trans-2-Morpholin-4-ylcyclohexanol
CAS Number
14909-79-6
MDL Number
MFCD14155661
PubChem SID
162062175
PubChem CID
10965223

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 10965223 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.596413  H Acceptors
H Donor LogD (pH = 5.5) -1.7601203 
LogD (pH = 7.4) 0.002729625  Log P 0.6960359 
Molar Refractivity 51.4383 cm3 Polarizability 20.530987 Å3
Polar Surface Area 32.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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