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104775-65-7 molecular structure
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3-(morpholine-4-carbonyl)aniline

ChemBase ID: 17729
Molecular Formular: C11H14N2O2
Molecular Mass: 206.24106
Monoisotopic Mass: 206.1055277
SMILES and InChIs

SMILES:
c1(C(=O)N2CCOCC2)cc(ccc1)N
Canonical SMILES:
Nc1cccc(c1)C(=O)N1CCOCC1
InChI:
InChI=1S/C11H14N2O2/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7,12H2
InChIKey:
RFFVEVKGZGRRCP-UHFFFAOYSA-N

Cite this record

CBID:17729 http://www.chembase.cn/molecule-17729.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(morpholine-4-carbonyl)aniline
IUPAC Traditional name
3-(morpholine-4-carbonyl)aniline
Synonyms
(3-Amino-phenyl)-morpholin-4-yl-methanone
(3-Aminophenyl)(morpholino)methanone
3-(morpholin-4-ylcarbonyl)aniline
CAS Number
104775-65-7
MDL Number
MFCD00523626
PubChem SID
160981036
PubChem CID
6485064

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6485064 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.22160111  LogD (pH = 7.4) 0.22378394 
Log P 0.22381184  Molar Refractivity 58.7047 cm3
Polarizability 21.640812 Å3 Polar Surface Area 55.56 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
82 - 84°C expand Show data source
Hydrophobicity(logP)
0.055 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
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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