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6319-95-5 molecular structure
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3-(morpholin-4-yl)propanoic acid hydrochloride

ChemBase ID: 30132
Molecular Formular: C7H14ClNO3
Molecular Mass: 195.64396
Monoisotopic Mass: 195.06622099
SMILES and InChIs

SMILES:
C(=O)(CCN1CCOCC1)O.Cl
Canonical SMILES:
OC(=O)CCN1CCOCC1.Cl
InChI:
InChI=1S/C7H13NO3.ClH/c9-7(10)1-2-8-3-5-11-6-4-8;/h1-6H2,(H,9,10);1H
InChIKey:
JLAHMPKUDAJSKA-UHFFFAOYSA-N

Cite this record

CBID:30132 http://www.chembase.cn/molecule-30132.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(morpholin-4-yl)propanoic acid hydrochloride
IUPAC Traditional name
3-(morpholin-4-yl)propanoic acid hydrochloride
Synonyms
3-Morpholin-4-yl-propionic acid hydrochloride
3-morpholinopropanoic acid hydrochloride
3-(morpholin-4-yl)propanoic acid hydrochloride
CAS Number
6319-95-5
MDL Number
MFCD00810444
PubChem SID
160993439
PubChem CID
2760140

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2760140 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.5837343  H Acceptors
H Donor LogD (pH = 5.5) -2.9740157 
LogD (pH = 7.4) -3.1201656  Log P -2.9762132 
Molar Refractivity 39.8466 cm3 Polarizability 15.687127 Å3
Polar Surface Area 49.77 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
216 - 218°C expand Show data source
Hydrophobicity(logP)
-2.239 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
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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