Home > Compound List > Compound details
7745-94-0 molecular structure
click picture or here to close

3-chloro-N,4-dimethylaniline hydrochloride

ChemBase ID: 797327
Molecular Formular: C8H11Cl2N
Molecular Mass: 192.08564
Monoisotopic Mass: 191.02685472
SMILES and InChIs

SMILES:
Cl.N(c1cc(c(cc1)C)Cl)C
Canonical SMILES:
CNc1ccc(c(c1)Cl)C.Cl
InChI:
InChI=1S/C8H10ClN.ClH/c1-6-3-4-7(10-2)5-8(6)9;/h3-5,10H,1-2H3;1H
InChIKey:
JTRCDUNWCCVQPB-UHFFFAOYSA-N

Cite this record

CBID:797327 http://www.chembase.cn/molecule-797327.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-N,4-dimethylaniline hydrochloride
IUPAC Traditional name
3-chloro-N,4-dimethylaniline hydrochloride
Synonyms
3-Chloro-N,4-diMethylaniline hydrochloride
CAS Number
7745-94-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O6816 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O6816 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) 2.5009851  LogD (pH = 7.4) 2.5626442 
Log P 2.56349  Molar Refractivity 46.0978 cm3
Polarizability 16.932777 Å3 Polar Surface Area 12.03 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