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3651-67-0 molecular structure
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4-methylmorpholine hydrochloride

ChemBase ID: 103402
Molecular Formular: C5H12ClNO
Molecular Mass: 137.60788
Monoisotopic Mass: 137.06074169
SMILES and InChIs

SMILES:
Cl.CN1CCOCC1
Canonical SMILES:
CN1CCOCC1.Cl
InChI:
InChI=1S/C5H11NO.ClH/c1-6-2-4-7-5-3-6;/h2-5H2,1H3;1H
InChIKey:
BTJRKNUKPQBLAL-UHFFFAOYSA-N

Cite this record

CBID:103402 http://www.chembase.cn/molecule-103402.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methylmorpholine hydrochloride
IUPAC Traditional name
N-methylmorpholine hydrochloride
Synonyms
N-METHYLMORPHOLINE
CAS Number
3651-67-0
EC Number
222-893-8
PubChem SID
162103265
PubChem CID
3083815

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02151665 external link Add to cart Please log in.
Data Source Data ID
PubChem 3083815 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0323699  LogD (pH = 7.4) -0.38977557 
Log P -0.028330985  Molar Refractivity 29.0626 cm3
Polarizability 11.428371 Å3 Polar Surface Area 12.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
2-8°C expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02151665 external link
Hydrochloride
Crystalline

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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