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5248-39-5 molecular structure
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4-methoxy-N,6-dimethyl-1,3,5-triazin-2-amine

ChemBase ID: 90022
Molecular Formular: C6H10N4O
Molecular Mass: 154.1698
Monoisotopic Mass: 154.08546096
SMILES and InChIs

SMILES:
n1c(nc(nc1OC)NC)C
Canonical SMILES:
CNc1nc(OC)nc(n1)C
InChI:
InChI=1S/C6H10N4O/c1-4-8-5(7-2)10-6(9-4)11-3/h1-3H3,(H,7,8,9,10)
InChIKey:
MNDSUSQBIDHEJU-UHFFFAOYSA-N

Cite this record

CBID:90022 http://www.chembase.cn/molecule-90022.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methoxy-N,6-dimethyl-1,3,5-triazin-2-amine
IUPAC Traditional name
4-methoxy-N,6-dimethyl-1,3,5-triazin-2-amine
Synonyms
2-Methoxy-4-methyl-6-(methylamino)-1,3,5-triazine
2-Methoxy-4-methyl-6-(methylamino)-1,3,5-triazine
4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-amine
2-甲氧基-4-甲基-6-(甲氨基)-1,3,5-三嗪
CAS Number
5248-39-5
EC Number
401-360-5
MDL Number
MFCD00585858
PubChem SID
162076877
24874729
PubChem CID
160779

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.429653  H Acceptors
H Donor LogD (pH = 5.5) 0.9133802 
LogD (pH = 7.4) 0.9232874  Log P 0.92341524 
Molar Refractivity 43.695 cm3 Polarizability 14.978036 Å3
Polar Surface Area 59.93 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
162-166 °C(lit.) expand Show data source
162-166°C expand Show data source
Storage Warning
Harmful expand Show data source
RTECS
XY2905180 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
Purity
95+% expand Show data source
96% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C6H10N4O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 549843 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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