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16370-63-1 molecular structure
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dimethoxy-1,3,5-triazin-2-amine

ChemBase ID: 67899
Molecular Formular: C5H8N4O2
Molecular Mass: 156.14262
Monoisotopic Mass: 156.06472552
SMILES and InChIs

SMILES:
n1c(nc(nc1OC)OC)N
Canonical SMILES:
COc1nc(OC)nc(n1)N
InChI:
InChI=1S/C5H8N4O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3,(H2,6,7,8,9)
InChIKey:
KVHFZZUPCXCRIX-UHFFFAOYSA-N

Cite this record

CBID:67899 http://www.chembase.cn/molecule-67899.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethoxy-1,3,5-triazin-2-amine
IUPAC Traditional name
dimethoxy-1,3,5-triazin-2-amine
Synonyms
2-Amino-4,6-dimethoxy-1,3,5-triazine
2-Amino-4,6-dimethoxy-1,3,5-triazine 98%
CAS Number
16370-63-1
MDL Number
MFCD00052765
PubChem SID
162033634
PubChem CID
27840

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.89808  H Acceptors
H Donor LogD (pH = 5.5) 0.7476927 
LogD (pH = 7.4) 0.74781996  Log P 0.74782157 
Molar Refractivity 39.9864 cm3 Polarizability 13.979852 Å3
Polar Surface Area 83.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
220-222°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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