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938515-94-7 molecular structure
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3-amino-N-(2-methoxyphenyl)propanamide

ChemBase ID: 308228
Molecular Formular: C10H14N2O2
Molecular Mass: 194.23036
Monoisotopic Mass: 194.1055277
SMILES and InChIs

SMILES:
N(C(=O)CCN)c1c(OC)cccc1
Canonical SMILES:
NCCC(=O)Nc1ccccc1OC
InChI:
InChI=1S/C10H14N2O2/c1-14-9-5-3-2-4-8(9)12-10(13)6-7-11/h2-5H,6-7,11H2,1H3,(H,12,13)
InChIKey:
JXRAGPMDMNPHMS-UHFFFAOYSA-N

Cite this record

CBID:308228 http://www.chembase.cn/molecule-308228.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-N-(2-methoxyphenyl)propanamide
IUPAC Traditional name
3-amino-N-(2-methoxyphenyl)propanamide
Synonyms
N~1~-(2-methoxyphenyl)-beta-alaninamide
CAS Number
938515-94-7
MDL Number
MFCD09726197

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -2.567854  LogD (pH = 7.4) -1.3450143 
Log P 0.3661678  Molar Refractivity 55.4433 cm3
Polarizability 21.094213 Å3 Polar Surface Area 64.35 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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