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53339-65-4 molecular structure
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2-amino-2-(pyridin-4-yl)acetic acid

ChemBase ID: 812352
Molecular Formular: C7H8N2O2
Molecular Mass: 152.15062
Monoisotopic Mass: 152.05857751
SMILES and InChIs

SMILES:
C(C(=O)O)(c1ccncc1)N
Canonical SMILES:
NC(c1ccncc1)C(=O)O
InChI:
InChI=1S/C7H8N2O2/c8-6(7(10)11)5-1-3-9-4-2-5/h1-4,6H,8H2,(H,10,11)
InChIKey:
BPTCAQMPNJVACB-UHFFFAOYSA-N

Cite this record

CBID:812352 http://www.chembase.cn/molecule-812352.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-2-(pyridin-4-yl)acetic acid
IUPAC Traditional name
amino(pyridin-4-yl)acetic acid
Synonyms
AMINO-PYRIDIN-4-YL-ACETIC ACID
CAS Number
53339-65-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32363 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32363 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.4815329  H Acceptors
H Donor LogD (pH = 5.5) -2.6929274 
LogD (pH = 7.4) -2.7135303  Log P -2.6922586 
Molar Refractivity 38.2044 cm3 Polarizability 15.170196 Å3
Polar Surface Area 76.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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