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1104919-88-1 molecular structure
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2-amino-N-(4-fluoro-2-methylphenyl)propanamide

ChemBase ID: 308542
Molecular Formular: C10H13FN2O
Molecular Mass: 196.2214232
Monoisotopic Mass: 196.10119127
SMILES and InChIs

SMILES:
C(=O)(Nc1c(cc(cc1)F)C)C(N)C
Canonical SMILES:
O=C(C(N)C)Nc1ccc(cc1C)F
InChI:
InChI=1S/C10H13FN2O/c1-6-5-8(11)3-4-9(6)13-10(14)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14)
InChIKey:
VWIJYTLNVUJJLI-UHFFFAOYSA-N

Cite this record

CBID:308542 http://www.chembase.cn/molecule-308542.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-N-(4-fluoro-2-methylphenyl)propanamide
IUPAC Traditional name
2-amino-N-(4-fluoro-2-methylphenyl)propanamide
Synonyms
N~1~-(4-fluoro-2-methylphenyl)alaninamide
CAS Number
1104919-88-1
MDL Number
MFCD09935301

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4031567 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0420365  LogD (pH = 7.4) 0.62666583 
Log P 1.5117139  Molar Refractivity 54.0322 cm3
Polarizability 20.013992 Å3 Polar Surface Area 55.12 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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