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75926-65-7 molecular structure
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6-(benzyloxy)pyridin-3-amine

ChemBase ID: 260466
Molecular Formular: C12H12N2O
Molecular Mass: 200.23648
Monoisotopic Mass: 200.09496301
SMILES and InChIs

SMILES:
n1c(OCc2ccccc2)ccc(c1)N
Canonical SMILES:
Nc1ccc(nc1)OCc1ccccc1
InChI:
InChI=1S/C12H12N2O/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9,13H2
InChIKey:
CDCFXBSOKSIQPU-UHFFFAOYSA-N

Cite this record

CBID:260466 http://www.chembase.cn/molecule-260466.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(benzyloxy)pyridin-3-amine
IUPAC Traditional name
6-(benzyloxy)pyridin-3-amine
Synonyms
6-(benzyloxy)pyridin-3-amine
CAS Number
75926-65-7
MDL Number
MFCD01692494
PubChem SID
164316376
PubChem CID
563286

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-45483 external link Add to cart Please log in.
Data Source Data ID
PubChem 563286 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.085245  LogD (pH = 7.4) 2.0878732 
Log P 2.0879068  Molar Refractivity 59.9908 cm3
Polarizability 22.685665 Å3 Polar Surface Area 48.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
42 - 44°C expand Show data source
Hydrophobicity(logP)
2.471 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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