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3240-94-6 molecular structure
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4-(2-chloroethyl)morpholine

ChemBase ID: 70697
Molecular Formular: C6H12ClNO
Molecular Mass: 149.61858
Monoisotopic Mass: 149.06074169
SMILES and InChIs

SMILES:
N1(CCOCC1)CCCl
Canonical SMILES:
ClCCN1CCOCC1
InChI:
InChI=1S/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2
InChIKey:
ZAPMTSHEXFEPSD-UHFFFAOYSA-N

Cite this record

CBID:70697 http://www.chembase.cn/molecule-70697.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-chloroethyl)morpholine
IUPAC Traditional name
morpholine, 4-(2-chloroethyl)-
Synonyms
4-(2-Chloroethyl)morpholine
CAS Number
3240-94-6
MDL Number
MFCD00603731
PubChem SID
162036410
PubChem CID
76727

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 76727 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.134164  LogD (pH = 7.4) 0.61016077 
Log P 0.6361589  Molar Refractivity 38.4059 cm3
Polarizability 15.11678 Å3 Polar Surface Area 12.47 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
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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