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352436-18-1 molecular structure
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(2H-1,3-benzodioxol-5-ylmethyl)(naphthalen-1-ylmethyl)amine

ChemBase ID: 311006
Molecular Formular: C19H17NO2
Molecular Mass: 291.34378
Monoisotopic Mass: 291.12592879
SMILES and InChIs

SMILES:
c12c(OCO1)ccc(c2)CNCc1c2c(ccc1)cccc2
Canonical SMILES:
C1Oc2c(O1)ccc(c2)CNCc1cccc2c1cccc2
InChI:
InChI=1S/C19H17NO2/c1-2-7-17-15(4-1)5-3-6-16(17)12-20-11-14-8-9-18-19(10-14)22-13-21-18/h1-10,20H,11-13H2
InChIKey:
RSIPHLXVRPEPPJ-UHFFFAOYSA-N

Cite this record

CBID:311006 http://www.chembase.cn/molecule-311006.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2H-1,3-benzodioxol-5-ylmethyl)(naphthalen-1-ylmethyl)amine
IUPAC Traditional name
(2H-1,3-benzodioxol-5-ylmethyl)(naphthalen-1-ylmethyl)amine
Synonyms
(1,3-benzodioxol-5-ylmethyl)(1-naphthylmethyl)amine
CAS Number
352436-18-1
MDL Number
MFCD01469281

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7764227  LogD (pH = 7.4) 2.1464446 
Log P 3.868778  Molar Refractivity 86.1357 cm3
Polarizability 35.169685 Å3 Polar Surface Area 30.49 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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