Basic information
- CAS
13138-48-2- Standard SMILES
Cc1cc(-c2cc(C)c(N)c3ccccc23)c2ccccc2c1N- InChIKey
FTEGMIZQLGXBNA-UHFFFAOYSA-N- Molecular formula
- C22H20N2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.16264865
Names & identifiers
- Preferred name
- 3,3'-Dimethyl(1,1'-binaphthalene)-4,4'-diamine
- IUPAC
- 4-(4-amino-3-methylnaphthalen-1-yl)-2-methylnaphthalen-1-amine
- English name
- 3,3'-Dimethylnaphthidine
- Molecular formula
- C22H20N2
- Molecular weight
- 312.41
Names & synonyms
13138-48-23,3'-Dimethyl(1,1'-binaphthalene)-4,4'-diamine[1,1'-Binaphthalene]-4,4'-diamine, 3,3'-dimethyl-EINECS 236-069-0DTXSID101570193,3'-dimethyl[1,1'-binaphthalene]-4,4'-diamine(1,1'-Binaphthalene)-4,4'-diamine, 3,3'-dimethyl-RefChem:484987DTXCID4079510236-069-03,3'-Dimethylnaphthidine3,3'-dimethyl-[1,1'-binaphthalene]-4,4'-diamine
Show more names
3,3' -dimethylbipyridine3 3-DIMETHYLNAPHTHIDINE 98%3 3'-DIMETHYLNAPHTHIDINE REDOX IND. &3,3'-DIMETHYLNAPHTHIDINE METAL INDICATOR3,3-Dimethylnaphthidine extrapure AR, 98%4,4'-DIAMINO-3,3'-DIMETHYL-1,1'-BINAPHTHYL4 4-DIAMINO-3 3-DIMETHYL-1,1-BINAPHTHYL 98%
3,3-Dimethylnaphthidine4-(4-amino-3-methylnaphthalen-1-yl)-2-methylnaphthalen-1-amineMFCD000427063,3-Dimethylnap3,3'-DimethylnaphthidinSCHEMBL8664433,3'-Dimethyl-(1,1'-binaphthalene)-4,4'-diamine3,3 inverted exclamation mark -Dimethylnaphthidine
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Melting point
- 232 °C · 232 °C
- Boiling point
- 479.3 · 479.3±40.0 °C(Predicted)
- Density
- 1.201 · 1.201±0.06 g/cm3(Predicted)
- bulk density
- 380 kg/m3 · 380kg/m3
- storage temp.
- 30 °C · Store below +30°C.
- Water Solubility
- Slightly soluble in water
- form
- powder to crystal
- pka
- 4.79 · 4.79±0.10(Predicted)
- color
- White to Gray to Brown
- BRN
- 2152306 · 2152306
- 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
- SMILES
- C1(C2=C3C(C=CC=C3)=C(N)C(C)=C2)=C2C(C=CC=C2)=C(N)C(C)=C1
- CAS DataBase Reference
- 13138 · 13138-48-2(CAS DataBase Reference)
- UNSPSC Code
- 12352116 · 12352116
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: [1,1'-Binaphthalene]-4,4'-diamine, 3,3'-dimethyl-
[1,1'-Binaphthalene]-4,4'-diamine, 3,3'-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2921 59 90
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Description3, 3-Dimethylnaphthidine is a polycyclic aromatic hydrocarbon, being one kind of dimethylnaphthidine isomers. It is a useful indicator for metal titration (for example, the titration of aluminum using EDTA method, determination of vanadium). It has also been used for the photometric determination of small amount of oxygen as well as chlorine in water.
UsesBacteriocin Against MRSA: This research highlights the application of ammonium sulfate in the purification of novel bacteriocins from Lactiplantibacillus plantarum for combating methicillin-resistant Staphylococcus aureus, demonstrating its critical role in biomedical research and pharmaceutical applications (Ye et al., 2024).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers71 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…