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14489-76-0 molecular structure
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ethyl(naphthalen-1-ylmethyl)amine

ChemBase ID: 312477
Molecular Formular: C13H15N
Molecular Mass: 185.2649
Monoisotopic Mass: 185.12044949
SMILES and InChIs

SMILES:
c12c(CNCC)cccc1cccc2
Canonical SMILES:
CCNCc1cccc2c1cccc2
InChI:
InChI=1S/C13H15N/c1-2-14-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9,14H,2,10H2,1H3
InChIKey:
JFVQSRKXAAXZIK-UHFFFAOYSA-N

Cite this record

CBID:312477 http://www.chembase.cn/molecule-312477.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl(naphthalen-1-ylmethyl)amine
IUPAC Traditional name
ethyl(naphthalen-1-ylmethyl)amine
Synonyms
N-(1-naphthylmethyl)ethanamine
CAS Number
14489-76-0
MDL Number
MFCD04559485

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) -0.34336552  LogD (pH = 7.4) 0.3246222 
Log P 2.8778794  Molar Refractivity 60.5048 cm3
Polarizability 25.086649 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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