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MFCD04973243 molecular structure
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methyl 2-(methylamino)propanoate hydrochloride

ChemBase ID: 72258
Molecular Formular: C5H12ClNO2
Molecular Mass: 153.60728
Monoisotopic Mass: 153.05565631
SMILES and InChIs

SMILES:
C(=O)(C(NC)C)OC.Cl
Canonical SMILES:
CNC(C(=O)OC)C.Cl
InChI:
InChI=1S/C5H11NO2.ClH/c1-4(6-2)5(7)8-3;/h4,6H,1-3H3;1H
InChIKey:
CYMQHMBRKIJBGI-UHFFFAOYSA-N

Cite this record

CBID:72258 http://www.chembase.cn/molecule-72258.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-(methylamino)propanoate hydrochloride
IUPAC Traditional name
methyl 2-(methylamino)propanoate hydrochloride
Synonyms
Methyl N-methylalaninate hydrochloride
MDL Number
MFCD04973243
PubChem SID
162037343
PubChem CID
23437773

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
077881 external link Add to cart Please log in.
Data Source Data ID
PubChem 23437773 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0848235  LogD (pH = 7.4) -0.057623435 
Log P -2.36865E-4  Molar Refractivity 30.041 cm3
Polarizability 12.24825 Å3 Polar Surface Area 38.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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