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5619-04-5 molecular structure
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3-hydroxy-2-(methylamino)propanoic acid hydrochloride

ChemBase ID: 69490
Molecular Formular: C4H10ClNO3
Molecular Mass: 155.5801
Monoisotopic Mass: 155.03492087
SMILES and InChIs

SMILES:
C(=O)(C(NC)CO)O.Cl
Canonical SMILES:
CNC(C(=O)O)CO.Cl
InChI:
InChI=1S/C4H9NO3.ClH/c1-5-3(2-6)4(7)8;/h3,5-6H,2H2,1H3,(H,7,8);1H
InChIKey:
ZLTMGTWVKIIMRC-UHFFFAOYSA-N

Cite this record

CBID:69490 http://www.chembase.cn/molecule-69490.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-hydroxy-2-(methylamino)propanoic acid hydrochloride
IUPAC Traditional name
3-hydroxy-2-(methylamino)propanoic acid hydrochloride
Synonyms
Methyl-DL-serine hydrochloride
CAS Number
5619-04-5
PubChem SID
162035216
PubChem CID
44181880

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
074977 external link Add to cart Please log in.
Data Source Data ID
PubChem 44181880 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7578363  H Acceptors
H Donor LogD (pH = 5.5) -3.6643322 
LogD (pH = 7.4) -3.6657603  Log P -3.6643286 
Molar Refractivity 26.8156 cm3 Polarizability 10.868561 Å3
Polar Surface Area 69.56 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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