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767-15-7 molecular structure
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4,6-dimethylpyrimidin-2-amine

ChemBase ID: 67650
Molecular Formular: C6H9N3
Molecular Mass: 123.15576
Monoisotopic Mass: 123.0796473
SMILES and InChIs

SMILES:
c1(nc(cc(n1)C)C)N
Canonical SMILES:
Cc1cc(C)nc(n1)N
InChI:
InChI=1S/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
InChIKey:
IDQNBVFPZMCDDN-UHFFFAOYSA-N

Cite this record

CBID:67650 http://www.chembase.cn/molecule-67650.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dimethylpyrimidin-2-amine
IUPAC Traditional name
2-amino-4,6-dimethylpyrimidine
Synonyms
4,6-Dimethyl-2-pyrimidinamine
4,6-Dimethyl-2-aminopyrimidine
NSC 3278
Acetylacetoneguanidine
2-Amino-4,6-dimethylpyrimidine
2-Amino-4,6-dimethylpyrimidine
4,6-dimethylpyrimidin-2-amine
ACETYLACETONE GUANIDINE
乙酰丙酮胍
2-氨基-4,6-二甲基嘧啶
CAS Number
767-15-7
EC Number
212-181-5
MDL Number
MFCD00006102
Beilstein Number
110735
PubChem SID
162033385
24846118
24890955
PubChem CID
13021

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.010822  H Acceptors
H Donor LogD (pH = 5.5) -0.08400092 
LogD (pH = 7.4) 0.15814559  Log P 0.16233586 
Molar Refractivity 36.5517 cm3 Polarizability 13.206214 Å3
Polar Surface Area 51.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
off-white powder expand Show data source
White Crystalline Powder expand Show data source
Melting Point
150-155°C expand Show data source
151-153 °C expand Show data source
151-153 °C(lit.) expand Show data source
151-153°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
RTECS
UV6260496 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H319 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥97.0% (NT) expand Show data source
95% expand Show data source
95+% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C6H9N3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05215405 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - A52005 external link
Packaging
25 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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