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36207-44-0 molecular structure
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2-amino-N-hydroxy-3-phenylpropanamide

ChemBase ID: 133209
Molecular Formular: C9H12N2O2
Molecular Mass: 180.20378
Monoisotopic Mass: 180.08987763
SMILES and InChIs

SMILES:
c1ccc(cc1)CC(C(=O)NO)N
Canonical SMILES:
ONC(=O)C(Cc1ccccc1)N
InChI:
InChI=1S/C9H12N2O2/c10-8(9(12)11-13)6-7-4-2-1-3-5-7/h1-5,8,13H,6,10H2,(H,11,12)
InChIKey:
XWQMGESVWMBPAQ-UHFFFAOYSA-N

Cite this record

CBID:133209 http://www.chembase.cn/molecule-133209.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-N-hydroxy-3-phenylpropanamide
IUPAC Traditional name
2-amino-N-hydroxy-3-phenylpropanamide
Synonyms
DL-Phenylalanine hydroxamate
CAS Number
36207-44-0
MDL Number
MFCD00057707
PubChem SID
162227486
24898464
PubChem CID
352861

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
P3881 external link Add to cart Please log in.
Data Source Data ID
PubChem 352861 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.800482  H Acceptors
H Donor LogD (pH = 5.5) -1.8205941 
LogD (pH = 7.4) -0.19949105  Log P 0.016567508 
Molar Refractivity 48.7031 cm3 Polarizability 19.209085 Å3
Polar Surface Area 75.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
German water hazard class
3 expand Show data source
Storage Temperature
-20°C expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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