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Molecule
ID:80029
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₇H₉BrN₂
Molecular Mass
201.06376
Exact Mass
199.9949103
Charge
0
InChI
InChI=1S/C7H9BrN2/c1-4-3-6(9)10-5(2)7(4)8/h3H,1-2H3,(H2,9,10)
InChIKey
BFRMYMFNSHASRJ-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(C)c(c(n1)C)Br
Isomeric Smiles
n1c(c(c(cc1N)C)Br)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6462788
LogD (pH = 7.4)
1.8236547
Log P
1.9346491
Molar Refractivity
46.1705
Polarizability
16.934221
Polar Surface Area
38.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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Synonyms
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IUPAC Traditional name
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IUPAC name
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PubChem CID
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PubChem SID
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CAS Number
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MDL Number
Properties
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Physical Property
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Product Information
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Molecular Spectra
Molecule Details
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Academic Data
PubChem
11030855
Commercial Catalog
Sigma Aldrich
634204
TRC
A601940
Enamine
EN300-130541
Apollo Scientific
OR2253
A&J Pharmtech
AJA-O10689
Names and Identifiers
Synonyms
3-Bromo-2,4-dimethylpyridin-6-amine
6-Amino-3-bromo-2,4-dimethylpyridine
2-Amino-4,6-dimethyl-5-bromopyridine
5-溴-4,6-二甲基-2-吡啶胺
6-氨基-3-溴-2,4-二甲基吡啶
2-Amino-5-bromo-4,6-dimethylpyridine
2-Amino-5-bromo-4,6-dimethylpyridine
2-Amino-5-bromo-4,6-dimethylpyridine
5-bromo-4,6-dimethylpyridin-2-amine
5-Bromo-4,6-dimethylpyridin-2-amine
2-氨基-5-溴-4,6-二甲基吡啶
5-Bromo-4,6-dimethyl-2-pyridinamine
6-Amino-3-bromo-2,4-lutidine
2-AMINO-5-BROMO-4 6-DIMETHYLPYRIDINE
IUPAC Traditional name
5-bromo-4,6-dimethylpyridin-2-amine
IUPAC name
5-bromo-4,6-dimethylpyridin-2-amine
Registration numbers
PubChem CID
11030855
PubChem SID
162067149
24882610
CAS Number
89856-44-0
MDL Number
MFCD00151793
Properties
Safety Information
Storage Warning
Harmful/Irritant/Corrosive/Light Sensitive
Source
GHS Pictograms
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
Source
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
GHS Signal Word
Danger
Source
Safety Statements
26
-
36/37/39
Source
GHS Hazard statements
H302
-
H317
-
H318
Source
European Hazard Symbols
Harmful (Xn)
Source
GHS Precautionary statements
P280
-
P305+P351+P338
Source
MSDS Link
Download link
Source
Download link
Source
German water hazard class
3
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Source
Risk Statements
22
-
41
-
43
Source
Physical Property
Melting Point
190-192°C
Source
144-148 °C(lit.)
Source
147 - 149°C
Source
Apperance
White Powder
Source
Solubility
Chloroform
Source
Dichloromethane
Source
Hydrophobicity(logP)
2.302
Source
Product Information
Purity
97%
Source
95%
Source
Empirical Formula (Hill Notation)
C7H9BrN2
Source
Certificate of Analysis
Download link
Source
Molecule Details
Sigma Aldrich
634204
Packaging
1, 5 g in glass bottle
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay