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38862-31-6 molecular structure
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6-chloro-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

ChemBase ID: 310559
Molecular Formular: C10H10ClN5
Molecular Mass: 235.6729
Monoisotopic Mass: 235.06247303
SMILES and InChIs

SMILES:
c1(nc(nc(n1)Cl)N)Nc1ccc(cc1)C
Canonical SMILES:
Cc1ccc(cc1)Nc1nc(N)nc(n1)Cl
InChI:
InChI=1S/C10H10ClN5/c1-6-2-4-7(5-3-6)13-10-15-8(11)14-9(12)16-10/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKey:
DWEJXROSWIHNMK-UHFFFAOYSA-N

Cite this record

CBID:310559 http://www.chembase.cn/molecule-310559.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
IUPAC Traditional name
6-chloro-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
Synonyms
6-chloro-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CAS Number
38862-31-6
MDL Number
MFCD00447780

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2460046  LogD (pH = 7.4) 3.246271 
Log P 3.2462757  Molar Refractivity 66.14 cm3
Polarizability 23.31739 Å3 Polar Surface Area 76.72 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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