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106037-36-9 molecular structure
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4-amino-3-methylbenzamide

ChemBase ID: 289294
Molecular Formular: C8H10N2O
Molecular Mass: 150.1778
Monoisotopic Mass: 150.07931295
SMILES and InChIs

SMILES:
O=C(N)c1ccc(N)c(C)c1
Canonical SMILES:
NC(=O)c1ccc(c(c1)C)N
InChI:
InChI=1S/C8H10N2O/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,9H2,1H3,(H2,10,11)
InChIKey:
CUJSSIOATYIWKA-UHFFFAOYSA-N

Cite this record

CBID:289294 http://www.chembase.cn/molecule-289294.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-3-methylbenzamide
IUPAC Traditional name
4-amino-3-methylbenzamide
Synonyms
4-amino-3-methylbenzamide
CAS Number
106037-36-9
MDL Number
MFCD08061918
PubChem SID
180674825
PubChem CID
12118057

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12118057 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.403504  H Acceptors
H Donor LogD (pH = 5.5) 0.50585175 
LogD (pH = 7.4) 0.5083496  Log P 0.50838155 
Molar Refractivity 44.878 cm3 Polarizability 16.06441 Å3
Polar Surface Area 69.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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