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903843-12-9 molecular structure
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3-amino-N-cyclohexyl-2-methylbenzamide

ChemBase ID: 311410
Molecular Formular: C14H20N2O
Molecular Mass: 232.3214
Monoisotopic Mass: 232.15756327
SMILES and InChIs

SMILES:
C(=O)(c1c(c(N)ccc1)C)NC1CCCCC1
Canonical SMILES:
O=C(c1cccc(c1C)N)NC1CCCCC1
InChI:
InChI=1S/C14H20N2O/c1-10-12(8-5-9-13(10)15)14(17)16-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,15H2,1H3,(H,16,17)
InChIKey:
CWCLPHOIZSZWDE-UHFFFAOYSA-N

Cite this record

CBID:311410 http://www.chembase.cn/molecule-311410.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-N-cyclohexyl-2-methylbenzamide
IUPAC Traditional name
3-amino-N-cyclohexyl-2-methylbenzamide
Synonyms
3-amino-N-cyclohexyl-2-methylbenzamide
CAS Number
903843-12-9
MDL Number
MFCD02032187

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) 2.5285463  LogD (pH = 7.4) 2.531293 
Log P 2.5313282  Molar Refractivity 70.7889 cm3
Polarizability 26.385008 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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