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356530-39-7 molecular structure
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(oxolan-2-ylmethyl)[(4-phenylphenyl)methyl]amine

ChemBase ID: 311643
Molecular Formular: C18H21NO
Molecular Mass: 267.36544
Monoisotopic Mass: 267.1623143
SMILES and InChIs

SMILES:
c1(c2ccccc2)ccc(cc1)CNCC1OCCC1
Canonical SMILES:
C1COC(C1)CNCc1ccc(cc1)c1ccccc1
InChI:
InChI=1S/C18H21NO/c1-2-5-16(6-3-1)17-10-8-15(9-11-17)13-19-14-18-7-4-12-20-18/h1-3,5-6,8-11,18-19H,4,7,12-14H2
InChIKey:
QQYXAQMPMRUBMI-UHFFFAOYSA-N

Cite this record

CBID:311643 http://www.chembase.cn/molecule-311643.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(oxolan-2-ylmethyl)[(4-phenylphenyl)methyl]amine
IUPAC Traditional name
(oxolan-2-ylmethyl)[(4-phenylphenyl)methyl]amine
Synonyms
(biphenyl-4-ylmethyl)(tetrahydrofuran-2-ylmethyl)amine
CAS Number
356530-39-7
MDL Number
MFCD03210604

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.47705135  LogD (pH = 7.4) 1.7755756 
Log P 3.597409  Molar Refractivity 82.6969 cm3
Polarizability 33.93979 Å3 Polar Surface Area 21.26 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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