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51274-58-9 molecular structure
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4-[(E)-2-(4-methoxyphenyl)diazen-1-yl]morpholine

ChemBase ID: 15967
Molecular Formular: C11H15N3O2
Molecular Mass: 221.2557
Monoisotopic Mass: 221.11642674
SMILES and InChIs

SMILES:
C1CN(CCO1)/N=N/c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)/N=N/N1CCOCC1
InChI:
InChI=1S/C11H15N3O2/c1-15-11-4-2-10(3-5-11)12-13-14-6-8-16-9-7-14/h2-5H,6-9H2,1H3/b13-12+
InChIKey:
SJMCKVRLENPUDX-OUKQBFOZSA-N

Cite this record

CBID:15967 http://www.chembase.cn/molecule-15967.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(E)-2-(4-methoxyphenyl)diazen-1-yl]morpholine
IUPAC Traditional name
4-[(E)-2-(4-methoxyphenyl)diazen-1-yl]morpholine
Synonyms
4-[(4-Methoxyphenyl)azo]-morpholine
CAS Number
51274-58-9
MDL Number
MFCD06656501
PubChem SID
160979274
PubChem CID
15212343

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 15212343 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9906117  LogD (pH = 7.4) 1.9906275 
Log P 1.9906278  Molar Refractivity 64.3338 cm3
Polarizability 23.278688 Å3 Polar Surface Area 46.42 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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