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30273-40-6 molecular structure
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4-bromo-2,5-dimethylaniline

ChemBase ID: 56084
Molecular Formular: C8H10BrN
Molecular Mass: 200.0757
Monoisotopic Mass: 198.99966133
SMILES and InChIs

SMILES:
Cc1c(cc(c(c1)Br)C)N
Canonical SMILES:
Cc1cc(Br)c(cc1N)C
InChI:
InChI=1S/C8H10BrN/c1-5-4-8(10)6(2)3-7(5)9/h3-4H,10H2,1-2H3
InChIKey:
CXPJJDQQLXEYPM-UHFFFAOYSA-N

Cite this record

CBID:56084 http://www.chembase.cn/molecule-56084.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-2,5-dimethylaniline
IUPAC Traditional name
4-bromo-2,5-dimethylaniline
Synonyms
(4-Bromo-2,5-dimethylphenyl)amine
4-Bromo-2,5-dimethylaniline 96%
CAS Number
30273-40-6
MDL Number
MFCD07780642
PubChem SID
162060847
PubChem CID
8167130

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 8167130 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9273608  LogD (pH = 7.4) 2.939755 
Log P 2.9399152  Molar Refractivity 48.4636 cm3
Polarizability 17.752405 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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