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72799-71-4 molecular structure
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1-(adamantan-1-yl)-2-aminoethan-1-ol

ChemBase ID: 310365
Molecular Formular: C12H21NO
Molecular Mass: 195.30124
Monoisotopic Mass: 195.1623143
SMILES and InChIs

SMILES:
C12(CC3CC(C1)CC(C2)C3)C(O)CN
Canonical SMILES:
NCC(C12CC3CC(C2)CC(C1)C3)O
InChI:
InChI=1S/C12H21NO/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,14H,1-7,13H2
InChIKey:
GLCFWAYXPRBRNU-UHFFFAOYSA-N

Cite this record

CBID:310365 http://www.chembase.cn/molecule-310365.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(adamantan-1-yl)-2-aminoethan-1-ol
IUPAC Traditional name
1-(adamantan-1-yl)-2-aminoethanol
Synonyms
1-(1-adamantyl)-2-aminoethanol
CAS Number
72799-71-4
MDL Number
MFCD03105253

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) -1.8252441  LogD (pH = 7.4) -0.95071983 
Log P 1.1700958  Molar Refractivity 56.0658 cm3
Polarizability 22.79212 Å3 Polar Surface Area 46.25 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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