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612-64-6 molecular structure
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N-ethyl-N-nitrosoaniline

ChemBase ID: 175454
Molecular Formular: C8H10N2O
Molecular Mass: 150.1778
Monoisotopic Mass: 150.07931295
SMILES and InChIs

SMILES:
c1(N(CC)N=O)ccccc1
Canonical SMILES:
CCN(c1ccccc1)N=O
InChI:
InChI=1S/C8H10N2O/c1-2-10(9-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey:
WXRXVZXYLBWKRG-UHFFFAOYSA-N

Cite this record

CBID:175454 http://www.chembase.cn/molecule-175454.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyl-N-nitrosoaniline
IUPAC Traditional name
aniline, N-ethyl-N-nitroso-
Synonyms
N-Ethyl-N-nitrosoaniline
N-Nitrosoethylphenylamine
N-Ethyl-N-nitroso-benzenamine
NSC 405070
N-Nitroso-N-ethylaniline
CAS Number
612-64-6
PubChem SID
164231364
PubChem CID
11929

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC N525875 external link Add to cart
PubChem 11929 external link
Data Source Data ID Price
TRC
N525875 external link Add to cart Please log in.
Data Source Data ID
PubChem 11929 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0533803  LogD (pH = 7.4) 2.0533803 
Log P 2.0533803  Molar Refractivity 44.5767 cm3
Polarizability 16.168217 Å3 Polar Surface Area 32.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Benzene expand Show data source
Chloroform expand Show data source
Apperance
Yellow Oil expand Show data source
Boiling Point
86°C/ 1 mm expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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