Home > Compound List > Compound details
42265-67-8 molecular structure
click picture or here to close

4-tert-butyl-2-chloroaniline

ChemBase ID: 84317
Molecular Formular: C10H14ClN
Molecular Mass: 183.67786
Monoisotopic Mass: 183.08147713
SMILES and InChIs

SMILES:
Nc1ccc(cc1Cl)C(C)(C)C
Canonical SMILES:
Nc1ccc(cc1Cl)C(C)(C)C
InChI:
InChI=1S/C10H14ClN/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6H,12H2,1-3H3
InChIKey:
MFEZEFHCSBXPPO-UHFFFAOYSA-N

Cite this record

CBID:84317 http://www.chembase.cn/molecule-84317.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-tert-butyl-2-chloroaniline
IUPAC Traditional name
4-tert-butyl-2-chloroaniline
Synonyms
4-(tert-Butyl)-2-chloroaniline
CAS Number
42265-67-8
MDL Number
MFCD00052272
PubChem SID
162071433
PubChem CID
521094

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 521094 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.291355  LogD (pH = 7.4) 3.2933948 
Log P 3.2934208  Molar Refractivity 54.2291 cm3
Polarizability 20.61891 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
84°C/0.1mm expand Show data source
Storage Warning
Toxic/Harmful expand Show data source
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