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852180-77-9 molecular structure
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methyl({4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)amine

ChemBase ID: 88962
Molecular Formular: C14H22N2O2
Molecular Mass: 250.33668
Monoisotopic Mass: 250.16812795
SMILES and InChIs

SMILES:
N(C)Cc1ccc(cc1)OCCN1CCOCC1
Canonical SMILES:
CNCc1ccc(cc1)OCCN1CCOCC1
InChI:
InChI=1S/C14H22N2O2/c1-15-12-13-2-4-14(5-3-13)18-11-8-16-6-9-17-10-7-16/h2-5,15H,6-12H2,1H3
InChIKey:
CFDWJPMGCABITD-UHFFFAOYSA-N

Cite this record

CBID:88962 http://www.chembase.cn/molecule-88962.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl({4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)amine
IUPAC Traditional name
methyl({4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)amine
Synonyms
N-methyl-N-[4-(2-morpholin-4-ylethoxy)benzyl]amine
N-Methyl-N-4-(2-morpholin-4-ylethoxy)benzylamine 95%
CAS Number
852180-77-9
MDL Number
MFCD07368554
PubChem SID
162075848
PubChem CID
7060587

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7060587 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.199284  LogD (pH = 7.4) -1.0575769 
Log P 1.1740675  Molar Refractivity 72.8628 cm3
Polarizability 28.751495 Å3 Polar Surface Area 33.73 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Corrosive expand Show data source
Purity
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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