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519046-32-3 molecular structure
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1-(adamantan-1-yl)-2-(propylamino)ethan-1-one

ChemBase ID: 311220
Molecular Formular: C15H25NO
Molecular Mass: 235.3651
Monoisotopic Mass: 235.19361443
SMILES and InChIs

SMILES:
C12(C(=O)CNCCC)CC3CC(C2)CC(C1)C3
Canonical SMILES:
CCCNCC(=O)C12CC3CC(C2)CC(C1)C3
InChI:
InChI=1S/C15H25NO/c1-2-3-16-10-14(17)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13,16H,2-10H2,1H3
InChIKey:
HXUKTXQNIGYMTL-UHFFFAOYSA-N

Cite this record

CBID:311220 http://www.chembase.cn/molecule-311220.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(adamantan-1-yl)-2-(propylamino)ethan-1-one
IUPAC Traditional name
1-(adamantan-1-yl)-2-(propylamino)ethanone
Synonyms
1-(1-adamantyl)-2-(propylamino)ethanone
CAS Number
519046-32-3
MDL Number
MFCD03473252

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) 0.11338463  LogD (pH = 7.4) 1.6562101 
Log P 3.0971828  Molar Refractivity 69.3463 cm3
Polarizability 27.775448 Å3 Polar Surface Area 29.1 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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