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109461-41-8 molecular structure
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2-methyl-2-phenylmorpholine

ChemBase ID: 238185
Molecular Formular: C11H15NO
Molecular Mass: 177.2429
Monoisotopic Mass: 177.11536411
SMILES and InChIs

SMILES:
C1(OCCNC1)(c1ccccc1)C
Canonical SMILES:
CC1(OCCNC1)c1ccccc1
InChI:
InChI=1S/C11H15NO/c1-11(9-12-7-8-13-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKey:
NCMLYFQBONKWAE-UHFFFAOYSA-N

Cite this record

CBID:238185 http://www.chembase.cn/molecule-238185.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-2-phenylmorpholine
IUPAC Traditional name
2-methyl-2-phenylmorpholine
Synonyms
2-methyl-2-phenylmorpholine
2-Methyl-2-phenylmorpholine
2-甲基-2-苯基吗啉
CAS Number
109461-41-8
MDL Number
MFCD09901613
PubChem SID
164294095
PubChem CID
3066037

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3066037 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.9966475  LogD (pH = 7.4) 0.7237572 
Log P 1.653438  Molar Refractivity 52.6889 cm3
Polarizability 21.03514 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
35-37°C expand Show data source
Hydrophobicity(logP)
1.669 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
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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