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63449-68-3 molecular structure
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naphthalen-2-yl 2-aminobenzoate

ChemBase ID: 288086
Molecular Formular: C17H13NO2
Molecular Mass: 263.29062
Monoisotopic Mass: 263.09462866
SMILES and InChIs

SMILES:
O=C(Oc1ccc2ccccc2c1)c1ccccc1N
Canonical SMILES:
O=C(c1ccccc1N)Oc1ccc2c(c1)cccc2
InChI:
InChI=1S/C17H13NO2/c18-16-8-4-3-7-15(16)17(19)20-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,18H2
InChIKey:
YJFCKXVXEKHSEC-UHFFFAOYSA-N

Cite this record

CBID:288086 http://www.chembase.cn/molecule-288086.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
naphthalen-2-yl 2-aminobenzoate
IUPAC Traditional name
naphthalen-2-yl 2-aminobenzoate
Synonyms
Naphthalen-2-yl 2-aminobenzoate
CAS Number
63449-68-3
MDL Number
MFCD00049302
PubChem SID
180673617
PubChem CID
62217

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD16581 Please log in.
Data Source Data ID
PubChem 62217 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.29246  H Acceptors
H Donor LogD (pH = 5.5) 4.4450717 
LogD (pH = 7.4) 4.44523  Log P 4.445232 
Molar Refractivity 79.0115 cm3 Polarizability 31.176687 Å3
Polar Surface Area 52.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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