Home > Compound List > Compound details
100308-67-6 molecular structure
click picture or here to close

N,N-bis(4-bromophenyl)-4-methylaniline

ChemBase ID: 291830
Molecular Formular: C19H15Br2N
Molecular Mass: 417.1371
Monoisotopic Mass: 414.95712349
SMILES and InChIs

SMILES:
Cc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
Canonical SMILES:
Cc1ccc(cc1)N(c1ccc(cc1)Br)c1ccc(cc1)Br
InChI:
InChI=1S/C19H15Br2N/c1-14-2-8-17(9-3-14)22(18-10-4-15(20)5-11-18)19-12-6-16(21)7-13-19/h2-13H,1H3
InChIKey:
OMMRSCXBBGEIGA-UHFFFAOYSA-N

Cite this record

CBID:291830 http://www.chembase.cn/molecule-291830.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-bis(4-bromophenyl)-4-methylaniline
IUPAC Traditional name
N,N-bis(4-bromophenyl)-4-methylaniline
Synonyms
4-Bromo-N-(4-bromophenyl)-N-(p-tolyl)aniline
CAS Number
100308-67-6
PubChem SID
180677361
PubChem CID
15404184

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD234632 Please log in.
Data Source Data ID
PubChem 15404184 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.3457327  LogD (pH = 7.4) 7.3457327 
Log P 7.3457327  Molar Refractivity 99.5053 cm3
Polarizability 37.834198 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% 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