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905234-93-7 molecular structure
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3-amino-N-tert-butyl-2-methylbenzamide

ChemBase ID: 311426
Molecular Formular: C12H18N2O
Molecular Mass: 206.28412
Monoisotopic Mass: 206.14191321
SMILES and InChIs

SMILES:
C(=O)(c1c(c(N)ccc1)C)NC(C)(C)C
Canonical SMILES:
O=C(c1cccc(c1C)N)NC(C)(C)C
InChI:
InChI=1S/C12H18N2O/c1-8-9(6-5-7-10(8)13)11(15)14-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15)
InChIKey:
IXEWVCCLFLNMKU-UHFFFAOYSA-N

Cite this record

CBID:311426 http://www.chembase.cn/molecule-311426.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-N-tert-butyl-2-methylbenzamide
IUPAC Traditional name
3-amino-N-tert-butyl-2-methylbenzamide
Synonyms
3-amino-N-(tert-butyl)-2-methylbenzamide
CAS Number
905234-93-7
MDL Number
MFCD02031557

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) 1.7831515  LogD (pH = 7.4) 1.785981 
Log P 1.7860173  Molar Refractivity 63.5803 cm3
Polarizability 23.429993 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

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