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649763-42-8 molecular structure
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N-(2-amino-4-methylphenyl)-2-methylpropanamide

ChemBase ID: 308519
Molecular Formular: C11H16N2O
Molecular Mass: 192.25754
Monoisotopic Mass: 192.12626314
SMILES and InChIs

SMILES:
C(=O)(Nc1c(cc(cc1)C)N)C(C)C
Canonical SMILES:
O=C(C(C)C)Nc1ccc(cc1N)C
InChI:
InChI=1S/C11H16N2O/c1-7(2)11(14)13-10-5-4-8(3)6-9(10)12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKey:
JWVLDJDEIYDEDG-UHFFFAOYSA-N

Cite this record

CBID:308519 http://www.chembase.cn/molecule-308519.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-amino-4-methylphenyl)-2-methylpropanamide
IUPAC Traditional name
N-(2-amino-4-methylphenyl)-2-methylpropanamide
Synonyms
N-(2-amino-4-methylphenyl)-2-methylpropanamide
CAS Number
649763-42-8
MDL Number
MFCD10686632

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4031250 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 59.864 cm3 Polarizability 21.794594 Å3
Polar Surface Area 55.12 Å2 H Acceptors
H Donor LogD (pH = 5.5) 2.132719 
LogD (pH = 7.4) 2.1388943  Log P 2.1389737 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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