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162104078 molecular structure
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4-chloro-6-methyl-1,3,5-triazin-2-amine

ChemBase ID: 72213
Molecular Formular: C4H5ClN4
Molecular Mass: 144.5623
Monoisotopic Mass: 144.02027386
SMILES and InChIs

SMILES:
n1c(nc(nc1C)N)Cl
Canonical SMILES:
Cc1nc(N)nc(n1)Cl
InChI:
InChI=1S/C4H5ClN4/c1-2-7-3(5)9-4(6)8-2/h1H3,(H2,6,7,8,9)
InChIKey:
BTBXQZKDOSYRDX-UHFFFAOYSA-N

Cite this record

CBID:72213 http://www.chembase.cn/molecule-72213.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6-methyl-1,3,5-triazin-2-amine
IUPAC Traditional name
4-chloro-6-methyl-1,3,5-triazin-2-amine
Synonyms
4-Chloro-6-methyl-1,3,5-triazin-2-amine
PubChem SID
162104078
PubChem CID
30591

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
077836 external link Add to cart Please log in.
Data Source Data ID
PubChem 30591 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.496161  H Acceptors
H Donor LogD (pH = 5.5) 1.0130899 
LogD (pH = 7.4) 1.0133828  Log P 1.0133865 
Molar Refractivity 37.291 cm3 Polarizability 12.674085 Å3
Polar Surface Area 64.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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