Home > Compound List > Compound details
65423-44-1 molecular structure
click picture or here to close

2-(diphenylphosphanyl)aniline

ChemBase ID: 798645
Molecular Formular: C18H16NP
Molecular Mass: 277.300101
Monoisotopic Mass: 277.10203615
SMILES and InChIs

SMILES:
P(c1ccccc1)(c1ccccc1)c1c(cccc1)N
Canonical SMILES:
Nc1ccccc1P(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C18H16NP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,19H2
InChIKey:
WIJJGRVJLNMTCI-UHFFFAOYSA-N

Cite this record

CBID:798645 http://www.chembase.cn/molecule-798645.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(diphenylphosphanyl)aniline
IUPAC Traditional name
2-(diphenylphosphanyl)aniline
Synonyms
(2-aminophenyl)diphenylphosphine
CAS Number
65423-44-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O11828 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O11828 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) 4.322325  LogD (pH = 7.4) 4.3233867 
Log P 4.3234  Molar Refractivity 86.3233 cm3
Polarizability 33.44969 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% 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