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162254305 molecular structure
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2-amino-3-(hydroxyamino)propanoic acid

ChemBase ID: 160170
Molecular Formular: C3H8N2O3
Molecular Mass: 121.1006289
Monoisotopic Mass: 121.05052702
SMILES and InChIs

SMILES:
O[15NH]CC(N)C(=O)O
Canonical SMILES:
O[15NH]CC(C(=O)O)N
InChI:
InChI=1S/C3H8N2O3/c4-2(1-5-8)3(6)7/h2,5,8H,1,4H2,(H,6,7)/i5+1
InChIKey:
VIFOGXGRPDRQHS-HOSYLAQJSA-N

Cite this record

CBID:160170 http://www.chembase.cn/molecule-160170.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-3-(hydroxyamino)propanoic acid
IUPAC Traditional name
2-amino-3-(hydroxyamino)propanoic acid
Synonyms
α-Amino-β-hydroxylaminopropionic Acid-15N
3-(Hydroxyamino)alanine-15N
NSC 159165-15N
D,L-2-Amino-3-(hydroxy-15N-amino)propionic Acid
PubChem SID
162254305
PubChem CID
46780281

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A611192 external link Add to cart
PubChem 46780281 external link
Data Source Data ID Price
TRC
A611192 external link Add to cart Please log in.
Data Source Data ID
PubChem 46780281 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.1961936  H Acceptors
H Donor LogD (pH = 5.5) -3.8837647 
LogD (pH = 7.4) -3.9264846  Log P -3.8845687 
Molar Refractivity 35.9559 cm3 Polarizability 10.585262 Å3
Polar Surface Area 95.58 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Slightly Sol. in Ethanol expand Show data source
Water expand Show data source
Apperance
White Solid expand Show data source
Melting Point
178-180°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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