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46176-57-2 molecular structure
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N-ethyladamantan-2-amine

ChemBase ID: 311391
Molecular Formular: C12H21N
Molecular Mass: 179.30184
Monoisotopic Mass: 179.16739968
SMILES and InChIs

SMILES:
C12C(C3CC(C2)CC(C3)C1)NCC
Canonical SMILES:
CCNC1C2CC3CC1CC(C2)C3
InChI:
InChI=1S/C12H21N/c1-2-13-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-13H,2-7H2,1H3
InChIKey:
LBUOWFRNFOQBRE-UHFFFAOYSA-N

Cite this record

CBID:311391 http://www.chembase.cn/molecule-311391.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyladamantan-2-amine
IUPAC Traditional name
N-ethyladamantan-2-amine
Synonyms
N-ethyl-2-adamantanamine hydrochloride
CAS Number
46176-57-2
MDL Number
MFCD09971526

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) -0.9000497  LogD (pH = 7.4) -0.75288016 
Log P 2.3397322  Molar Refractivity 54.8922 cm3
Polarizability 22.19729 Å3 Polar Surface Area 12.03 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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