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759452-40-9 molecular structure
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N-(furan-3-ylmethyl)-2,2-dimethyloxan-4-amine

ChemBase ID: 311165
Molecular Formular: C12H19NO2
Molecular Mass: 209.28476
Monoisotopic Mass: 209.14157885
SMILES and InChIs

SMILES:
c1(cocc1)CNC1CC(OCC1)(C)C
Canonical SMILES:
CC1(C)OCCC(C1)NCc1cocc1
InChI:
InChI=1S/C12H19NO2/c1-12(2)7-11(4-6-15-12)13-8-10-3-5-14-9-10/h3,5,9,11,13H,4,6-8H2,1-2H3
InChIKey:
UEGWBWOJOUKKNW-UHFFFAOYSA-N

Cite this record

CBID:311165 http://www.chembase.cn/molecule-311165.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(furan-3-ylmethyl)-2,2-dimethyloxan-4-amine
IUPAC Traditional name
N-(furan-3-ylmethyl)-2,2-dimethyloxan-4-amine
Synonyms
N-(3-furylmethyl)-2,2-dimethyltetrahydro-2H-pyran-4-amine hydrochloride
CAS Number
759452-40-9
MDL Number
MFCD01456344

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) -1.7829471  LogD (pH = 7.4) -0.4642609 
Log P 1.3301779  Molar Refractivity 59.3519 cm3
Polarizability 23.408691 Å3 Polar Surface Area 34.4 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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