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632-12-2 molecular structure
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3-amino-2-hydroxypropanoic acid

ChemBase ID: 112627
Molecular Formular: C3H7NO3
Molecular Mass: 105.09258
Monoisotopic Mass: 105.04259309
SMILES and InChIs

SMILES:
NCC(O)C(=O)O
Canonical SMILES:
NCC(C(=O)O)O
InChI:
InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)
InChIKey:
BMYNFMYTOJXKLE-UHFFFAOYSA-N

Cite this record

CBID:112627 http://www.chembase.cn/molecule-112627.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-2-hydroxypropanoic acid
IUPAC Traditional name
isoserine
Synonyms
ISOSERINE
(±)-3-Amino-2-hydroxypropionic acid
DL-2-Hydroxy-3-aminopropionic acid
DL-Isoserine
3-AMino-2-hydroxypropanoic acid
(±)-3-氨基-2-羟基丙酸
DL-异丝氨酸
CAS Number
632-12-2
565-71-9
MDL Number
MFCD00008138
Beilstein Number
1721413
PubChem SID
24857239
24881734
162097548
PubChem CID
11267

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.193472  H Acceptors
H Donor LogD (pH = 5.5) -3.8899539 
LogD (pH = 7.4) -3.8903162  Log P -3.8887994 
Molar Refractivity 22.041 cm3 Polarizability 9.0643015 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)
Melting Point
235 °C (dec.)(lit.) expand Show data source
235°C dec. expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥97.0% (TLC) expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
H2NCH2CH(OH)CO2H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05225037 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 286338 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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