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88423-14-7 molecular structure
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[3-(benzyloxy)pyridin-2-yl]methanamine

ChemBase ID: 815045
Molecular Formular: C13H14N2O
Molecular Mass: 214.26306
Monoisotopic Mass: 214.11061308
SMILES and InChIs

SMILES:
C(N)c1ncccc1OCc1ccccc1
Canonical SMILES:
NCc1ncccc1OCc1ccccc1
InChI:
InChI=1S/C13H14N2O/c14-9-12-13(7-4-8-15-12)16-10-11-5-2-1-3-6-11/h1-8H,9-10,14H2
InChIKey:
QBVBHQWWNOQBSP-UHFFFAOYSA-N

Cite this record

CBID:815045 http://www.chembase.cn/molecule-815045.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[3-(benzyloxy)pyridin-2-yl]methanamine
IUPAC Traditional name
[3-(benzyloxy)pyridin-2-yl]methanamine
Synonyms
(3-(benzyloxy)pyridin-2-yl)methanamine
CAS Number
88423-14-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37295 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37295 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8812163  LogD (pH = 7.4) 0.8118928 
Log P 1.5296155  Molar Refractivity 62.9281 cm3
Polarizability 24.920134 Å3 Polar Surface Area 48.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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