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620-93-9 molecular structure
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4-methyl-N-(4-methylphenyl)aniline

ChemBase ID: 69880
Molecular Formular: C14H15N
Molecular Mass: 197.2756
Monoisotopic Mass: 197.12044949
SMILES and InChIs

SMILES:
N(c1ccc(cc1)C)c1ccc(cc1)C
Canonical SMILES:
Cc1ccc(cc1)Nc1ccc(cc1)C
InChI:
InChI=1S/C14H15N/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
InChIKey:
RHPVVNRNAHRJOQ-UHFFFAOYSA-N

Cite this record

CBID:69880 http://www.chembase.cn/molecule-69880.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-N-(4-methylphenyl)aniline
IUPAC Traditional name
4-methyl-N-(4-methylphenyl)aniline
Synonyms
4,4'-Dimethyldiphenylamine
Di-p-tolylamine
4,4′-二甲基二苯胺
CAS Number
620-93-9
EC Number
210-659-8
MDL Number
MFCD00059317
PubChem SID
162035605
24869804
PubChem CID
69293

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 69293 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.439952  LogD (pH = 7.4) 4.4400134 
Log P 4.4400144  Molar Refractivity 64.6266 cm3
Polarizability 24.667469 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
78-82 °C(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Linear Formula
(CH3C6H4)2NH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 461083 external link
Packaging
25 g in poly bottle
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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