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218915-49-2 molecular structure
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(1R,2R)-2-(ethylamino)cyclohexan-1-ol

ChemBase ID: 308191
Molecular Formular: C8H17NO
Molecular Mass: 143.22668
Monoisotopic Mass: 143.13101417
SMILES and InChIs

SMILES:
[C@@H]1([C@H](O)CCCC1)NCC
Canonical SMILES:
CCN[C@@H]1CCCC[C@H]1O
InChI:
InChI=1S/C8H17NO/c1-2-9-7-5-3-4-6-8(7)10/h7-10H,2-6H2,1H3/t7-,8-/m1/s1
InChIKey:
NIMUFNCQZMSSAG-HTQZYQBOSA-N

Cite this record

CBID:308191 http://www.chembase.cn/molecule-308191.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,2R)-2-(ethylamino)cyclohexan-1-ol
IUPAC Traditional name
(1R,2R)-2-(ethylamino)cyclohexan-1-ol
Synonyms
trans-2-(ethylamino)cyclohexanol
CAS Number
218915-49-2
MDL Number
MFCD14155662

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.338399  LogD (pH = 7.4) -1.7684195 
Log P 0.8882964  Molar Refractivity 41.8177 cm3
Polarizability 16.88203 Å3 Polar Surface Area 32.26 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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