Home > Compound List > Compound details
612086-24-5 molecular structure
click picture or here to close

3-bromo-N,N-diethylpyridin-4-amine

ChemBase ID: 796202
Molecular Formular: C9H13BrN2
Molecular Mass: 229.11692
Monoisotopic Mass: 228.02621043
SMILES and InChIs

SMILES:
n1cc(c(cc1)N(CC)CC)Br
Canonical SMILES:
CCN(c1ccncc1Br)CC
InChI:
InChI=1S/C9H13BrN2/c1-3-12(4-2)9-5-6-11-7-8(9)10/h5-7H,3-4H2,1-2H3
InChIKey:
XCBQXYQTGJPIDT-UHFFFAOYSA-N

Cite this record

CBID:796202 http://www.chembase.cn/molecule-796202.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-N,N-diethylpyridin-4-amine
IUPAC Traditional name
3-bromo-N,N-diethylpyridin-4-amine
Synonyms
3-BroMo-N,N-diethylpyridin-4-aMine
CAS Number
612086-24-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1893 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O1893 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4394665  LogD (pH = 7.4) 2.1830337 
Log P 2.345986  Molar Refractivity 55.4497 cm3
Polarizability 20.70313 Å3 Polar Surface Area 16.13 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle