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13138-48-2 molecular structure
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4-(4-amino-3-methylnaphthalen-1-yl)-2-methylnaphthalen-1-amine

ChemBase ID: 108092
Molecular Formular: C22H20N2
Molecular Mass: 312.4076
Monoisotopic Mass: 312.16264865
SMILES and InChIs

SMILES:
Cc1c(N)c2ccccc2c(c1)c1cc(C)c(N)c2ccccc12
Canonical SMILES:
Cc1cc(c2c(c1N)cccc2)c1cc(C)c(c2c1cccc2)N
InChI:
InChI=1S/C22H20N2/c1-13-11-19(15-7-3-5-9-17(15)21(13)23)20-12-14(2)22(24)18-10-6-4-8-16(18)20/h3-12H,23-24H2,1-2H3
InChIKey:
FTEGMIZQLGXBNA-UHFFFAOYSA-N

Cite this record

CBID:108092 http://www.chembase.cn/molecule-108092.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-amino-3-methylnaphthalen-1-yl)-2-methylnaphthalen-1-amine
IUPAC Traditional name
4-(4-amino-3-methylnaphthalen-1-yl)-2-methylnaphthalen-1-amine
Synonyms
4,4′-Diamino-3,3′-dimethyl-1,1′-binaphthyl
3,3′-Dimethylnaphthidine
3,3-DIMETHYLNAPHTHIDINE
4,4′-二氨基-3,3′-二甲基-1,1′-联萘
3,3′-二甲基联萘胺
CAS Number
13138-48-2
EC Number
236-069-0
MDL Number
MFCD00042706
Beilstein Number
2152306
PubChem SID
24862038
24859955
162093898
PubChem CID
83166

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 83166 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.9504824  LogD (pH = 7.4) 4.9681864 
Log P 4.9684157  Molar Refractivity 103.5778 cm3
Polarizability 42.503063 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
99% expand Show data source
Grade
indicator for metal titration expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C22H20N2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05206055 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 358932 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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