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38696-21-8 molecular structure
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5-bromo-N,N-dimethylpyrimidin-2-amine

ChemBase ID: 66580
Molecular Formular: C6H8BrN3
Molecular Mass: 202.05182
Monoisotopic Mass: 200.99015927
SMILES and InChIs

SMILES:
N(C)(C)c1ncc(cn1)Br
Canonical SMILES:
CN(c1ncc(cn1)Br)C
InChI:
InChI=1S/C6H8BrN3/c1-10(2)6-8-3-5(7)4-9-6/h3-4H,1-2H3
InChIKey:
NYMYGNLCILQUMT-UHFFFAOYSA-N

Cite this record

CBID:66580 http://www.chembase.cn/molecule-66580.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-N,N-dimethylpyrimidin-2-amine
IUPAC Traditional name
5-bromo-N,N-dimethylpyrimidin-2-amine
Synonyms
5-Bromo-2-(dimethylamino)pyrimidine
2-(Dimethylamino)-5-bromopyrimidine
5-Bromo-N,N-dimethylpyrimidin-2-amine
5-Bromo-2-(dimethylamino)pyrimidine
(5-Bromopyrimidin-2-yl)dimethylamine
5-Bromo-N,N-dimethylpyrimidin-2-amine
2-(二甲基氨基)-5-溴嘧啶
5-溴-N,N-二甲基嘧啶-2-胺
5-溴-2-(二甲基氨基)嘧啶
CAS Number
38696-21-8
MDL Number
MFCD07368228
PubChem SID
162032317
PubChem CID
12735315

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6050817  LogD (pH = 7.4) 1.605315 
Log P 1.605318  Molar Refractivity 44.7197 cm3
Polarizability 16.276045 Å3 Polar Surface Area 29.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
74-81 °C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
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
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C6H8BrN3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 701955 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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