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6027-21-0 molecular structure
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2-amino-4-hydroxybutanoic acid

ChemBase ID: 102520
Molecular Formular: C4H9NO3
Molecular Mass: 119.11916
Monoisotopic Mass: 119.05824315
SMILES and InChIs

SMILES:
NC(CCO)C(=O)O
Canonical SMILES:
OCCC(C(=O)O)N
InChI:
InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)
InChIKey:
UKAUYVFTDYCKQA-UHFFFAOYSA-N

Cite this record

CBID:102520 http://www.chembase.cn/molecule-102520.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-4-hydroxybutanoic acid
IUPAC Traditional name
homoserine
Synonyms
DL-2-Amino-4-hydroxybutyric acid
HVA
DL-HOMOSERINE
D-Homoserine
2-amino-4-hydroxybutanoic acid
2-Amino-4-hydroxybutyric Acid
D,L-Homoserine
CAS Number
6027-21-0
1927-25-9
EC Number
217-661-8
MDL Number
MFCD00002618
MFCD00077786
PubChem SID
162088116
PubChem CID
779

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.2233198  H Acceptors
H Donor LogD (pH = 5.5) -3.8276682 
LogD (pH = 7.4) -3.8344793  Log P -3.8277326 
Molar Refractivity 26.9064 cm3 Polarizability 10.868561 Å3
Polar Surface Area 83.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Hot Methanol expand Show data source
Water expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
176-178°C expand Show data source
Hydrophobicity(logP)
-3.116 expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Room Temperature (15-30°C) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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