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938515-57-2 molecular structure
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3-amino-N-(4-ethylphenyl)propanamide

ChemBase ID: 308190
Molecular Formular: C11H16N2O
Molecular Mass: 192.25754
Monoisotopic Mass: 192.12626314
SMILES and InChIs

SMILES:
C(=O)(Nc1ccc(cc1)CC)CCN
Canonical SMILES:
NCCC(=O)Nc1ccc(cc1)CC
InChI:
InChI=1S/C11H16N2O/c1-2-9-3-5-10(6-4-9)13-11(14)7-8-12/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKey:
PJZOFSBGQCPJQT-UHFFFAOYSA-N

Cite this record

CBID:308190 http://www.chembase.cn/molecule-308190.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-N-(4-ethylphenyl)propanamide
IUPAC Traditional name
3-amino-N-(4-ethylphenyl)propanamide
Synonyms
N~1~-(4-ethylphenyl)-beta-alaninamide
CAS Number
938515-57-2
MDL Number
MFCD09726177

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.452196  LogD (pH = 7.4) -0.22936419 
Log P 1.4818292  Molar Refractivity 58.6223 cm3
Polarizability 22.183895 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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