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15185-37-2 molecular structure
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2-[(1E)-(hydroxyimino)(phenyl)methyl]aniline

ChemBase ID: 796463
Molecular Formular: C13H12N2O
Molecular Mass: 212.24718
Monoisotopic Mass: 212.09496301
SMILES and InChIs

SMILES:
C(=N\O)(\c1ccccc1)/c1c(cccc1)N
Canonical SMILES:
O/N=C(/c1ccccc1N)\c1ccccc1
InChI:
InChI=1S/C13H12N2O/c14-12-9-5-4-8-11(12)13(15-16)10-6-2-1-3-7-10/h1-9,16H,14H2/b15-13+
InChIKey:
STLNPQQBAZTBIO-FYWRMAATSA-N

Cite this record

CBID:796463 http://www.chembase.cn/molecule-796463.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(1E)-(hydroxyimino)(phenyl)methyl]aniline
IUPAC Traditional name
2-[(1E)-(hydroxyimino)(phenyl)methyl]aniline
Synonyms
(E)-(2-AMinophenyl)(phenyl)Methanone oxiMe
CAS Number
15185-37-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O2925 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O2925 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.630851  H Acceptors
H Donor LogD (pH = 5.5) 2.6112692 
LogD (pH = 7.4) 2.6105824  Log P 2.6131527 
Molar Refractivity 65.1556 cm3 Polarizability 24.30703 Å3
Polar Surface Area 58.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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